N-[3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;hydrochloride

C19H30ClN3O3S — CID 119563156

IUPACN-[3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;hydrochloride
SMILESCNC1CCN(C(=O)CCNS(=O)(=O)c2ccc3c(c2)CCCC3)CC1.Cl
InChIInChI=1S/C19H29N3O3S.ClH/c1-20-17-9-12-22(13-10-17)19(23)8-11-21-26(24,25)18-7-6-15-4-2-3-5-16(15)14-18;/h6-7,14,17,20-21H,2-5,8-13H2,1H3;1H
InChIKeyBXAKUFSUEKDGBF-UHFFFAOYSA-N
MW415.99 g/mol
LogP1.87
Rot. Bonds6

About N-[3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;hydrochloride

N-[3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;hydrochloride (PubChem CID 119563156) has the molecular formula C19H30ClN3O3S and a molecular weight of 415.99 g/mol. Its IUPAC name is N-[3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;hydrochloride
PubChem CID119563156
Molecular FormulaC19H30ClN3O3S
Molecular Weight415.99 g/mol
Exact Mass415.17
IUPAC NameN-[3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;hydrochloride
SMILESCNC1CCN(C(=O)CCNS(=O)(=O)c2ccc3c(c2)CCCC3)CC1.Cl
InChIInChI=1S/C19H29N3O3S.ClH/c1-20-17-9-12-22(13-10-17)19(23)8-11-21-26(24,25)18-7-6-15-4-2-3-5-16(15)14-18;/h6-7,14,17,20-21H,2-5,8-13H2,1H3;1H
InChIKeyBXAKUFSUEKDGBF-UHFFFAOYSA-N
XLogP1.87
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.99
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;hydrochloride with MolForge

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Related Compounds

N-[3-[4-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 119520090
N-[3-[(3R)-3-aminopyrrolidin-1-yl]-3-oxopropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;hydrochloride
CID 119412609
N-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-3-oxopropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;hydrochloride
CID 120815224
N-[3-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-oxopropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 119638499
N-[3-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-oxopropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 119651405
N-benzyl-1-[3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoyl]piperidine-4-carboxamide
CID 31588092
N-[3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]-4-nitrobenzenesulfonamide;hydrochloride
CID 119560534
N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 112991023
N-[4-(4-cyclopentylpiperazin-1-yl)-4-oxobutyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 86845648
N-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 26693455
N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-oxopropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 24538550
N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 110429173

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;hydrochloride?
The IUPAC name of N-[3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;hydrochloride (CID 119563156) is N-[3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;hydrochloride.
What is the SMILES notation for N-[3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;hydrochloride?
The canonical SMILES for N-[3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;hydrochloride is CNC1CCN(C(=O)CCNS(=O)(=O)c2ccc3c(c2)CCCC3)CC1.Cl.
What is the InChIKey of N-[3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;hydrochloride?
The InChIKey is BXAKUFSUEKDGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3S.ClH/c1-20-17-9-12-22(13-10-17)19(23)8-11-21-26(24,25)18-7-6-15-4-2-3-5-16(15)14-18;/h6-7,14,17,20-21H,2-5,8-13H2,1H3;1H.
What are the key properties of N-[3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;hydrochloride?
N-[3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;hydrochloride has a molecular weight of 415.99 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;hydrochloride is sourced from PubChem (CID 119563156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).