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

C17H26ClN3O3S — CID 119412609

IUPACN-[3-[(3R)-3-aminopyrrolidin-1-yl]-3-oxopropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;hydrochloride
SMILESCl.N[C@@H]1CCN(C(=O)CCNS(=O)(=O)c2ccc3c(c2)CCCC3)C1
InChIInChI=1S/C17H25N3O3S.ClH/c18-15-8-10-20(12-15)17(21)7-9-19-24(22,23)16-6-5-13-3-1-2-4-14(13)11-16;/h5-6,11,15,19H,1-4,7-10,12,18H2;1H/t15-;/m1./s1
InChIKeyUYHCCYGPHSPGAA-XFULWGLBSA-N
MW387.93 g/mol
LogP1.22
Rot. Bonds5

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

N-[3-[(3R)-3-aminopyrrolidin-1-yl]-3-oxopropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;hydrochloride (PubChem CID 119412609) has the molecular formula C17H26ClN3O3S and a molecular weight of 387.93 g/mol. Its IUPAC name is N-[3-[(3R)-3-aminopyrrolidin-1-yl]-3-oxopropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[(3R)-3-aminopyrrolidin-1-yl]-3-oxopropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;hydrochloride
PubChem CID119412609
Molecular FormulaC17H26ClN3O3S
Molecular Weight387.93 g/mol
Exact Mass387.14
IUPAC NameN-[3-[(3R)-3-aminopyrrolidin-1-yl]-3-oxopropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;hydrochloride
SMILESCl.N[C@@H]1CCN(C(=O)CCNS(=O)(=O)c2ccc3c(c2)CCCC3)C1
InChIInChI=1S/C17H25N3O3S.ClH/c18-15-8-10-20(12-15)17(21)7-9-19-24(22,23)16-6-5-13-3-1-2-4-14(13)11-16;/h5-6,11,15,19H,1-4,7-10,12,18H2;1H/t15-;/m1./s1
InChIKeyUYHCCYGPHSPGAA-XFULWGLBSA-N
XLogP1.22
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.93
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-3-oxopropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;hydrochloride
CID 120815224
N-[3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;hydrochloride
CID 119563156
N-[3-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-oxopropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 119638499
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]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 119410406
N-[3-(3-aminopiperidin-1-yl)-3-oxopropyl]naphthalene-2-sulfonamide
CID 119380130
N-[3-[(3R)-3-aminopyrrolidin-1-yl]-3-oxopropyl]-4-ethoxybenzenesulfonamide;hydrochloride
CID 119412585
N-benzyl-1-[3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoyl]piperidine-4-carboxamide
CID 31588092
N-[3-[(3R)-3-aminopyrrolidin-1-yl]-3-oxopropyl]pyridine-3-sulfonamide
CID 119412199
N-[4-(4-cyclopentylpiperazin-1-yl)-4-oxobutyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 86845648
N-[3-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-oxopropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 119651405
N-(cyclopropylmethyl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 24667154

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3R)-3-aminopyrrolidin-1-yl]-3-oxopropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;hydrochloride?
The IUPAC name of N-[3-[(3R)-3-aminopyrrolidin-1-yl]-3-oxopropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;hydrochloride (CID 119412609) is N-[3-[(3R)-3-aminopyrrolidin-1-yl]-3-oxopropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;hydrochloride.
What is the SMILES notation for N-[3-[(3R)-3-aminopyrrolidin-1-yl]-3-oxopropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;hydrochloride?
The canonical SMILES for N-[3-[(3R)-3-aminopyrrolidin-1-yl]-3-oxopropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;hydrochloride is Cl.N[C@@H]1CCN(C(=O)CCNS(=O)(=O)c2ccc3c(c2)CCCC3)C1.
What is the InChIKey of N-[3-[(3R)-3-aminopyrrolidin-1-yl]-3-oxopropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;hydrochloride?
The InChIKey is UYHCCYGPHSPGAA-XFULWGLBSA-N. The full InChI is InChI=1S/C17H25N3O3S.ClH/c18-15-8-10-20(12-15)17(21)7-9-19-24(22,23)16-6-5-13-3-1-2-4-14(13)11-16;/h5-6,11,15,19H,1-4,7-10,12,18H2;1H/t15-;/m1./s1.
What are the key properties of N-[3-[(3R)-3-aminopyrrolidin-1-yl]-3-oxopropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;hydrochloride?
N-[3-[(3R)-3-aminopyrrolidin-1-yl]-3-oxopropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;hydrochloride has a molecular weight of 387.93 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3R)-3-aminopyrrolidin-1-yl]-3-oxopropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;hydrochloride is sourced from PubChem (CID 119412609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).