N-[3-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-oxopropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

C19H29N3O3S — CID 119651405

IUPACN-[3-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-oxopropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCNCC1CCCN1C(=O)CCNS(=O)(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C19H29N3O3S/c1-20-14-17-7-4-12-22(17)19(23)10-11-21-26(24,25)18-9-8-15-5-2-3-6-16(15)13-18/h8-9,13,17,20-21H,2-7,10-12,14H2,1H3
InChIKeyWVDFEYYYTGCUGN-UHFFFAOYSA-N
MW379.53 g/mol
LogP1.44
Rot. Bonds7

About N-[3-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-oxopropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

N-[3-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-oxopropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (PubChem CID 119651405) has the molecular formula C19H29N3O3S and a molecular weight of 379.53 g/mol. Its IUPAC name is N-[3-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-oxopropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-oxopropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
PubChem CID119651405
Molecular FormulaC19H29N3O3S
Molecular Weight379.53 g/mol
Exact Mass379.19
IUPAC NameN-[3-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-oxopropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCNCC1CCCN1C(=O)CCNS(=O)(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C19H29N3O3S/c1-20-14-17-7-4-12-22(17)19(23)10-11-21-26(24,25)18-9-8-15-5-2-3-6-16(15)13-18/h8-9,13,17,20-21H,2-7,10-12,14H2,1H3
InChIKeyWVDFEYYYTGCUGN-UHFFFAOYSA-N
XLogP1.44
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-ethylpiperidin-1-yl)-4-oxobutyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 86909188
N-[3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;hydrochloride
CID 119563156
N-(cyclopropylmethyl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 24667154
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-(cyclopentylmethyl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 43067731
N-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-3-oxopropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;hydrochloride
CID 120815224
N-cyclopropyl-4-[3-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 119648734
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-(aminomethyl)pyrrolidin-1-yl]-3-oxopropyl]naphthalene-2-sulfonamide
CID 119633298
N-[3-oxo-3-[2-(2-phenylethyl)pyrrolidin-1-yl]propyl]naphthalene-2-sulfonamide
CID 55925214
N,N-diethyl-4-[3-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 119649553

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-oxopropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The IUPAC name of N-[3-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-oxopropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (CID 119651405) is N-[3-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-oxopropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-[3-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-oxopropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The canonical SMILES for N-[3-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-oxopropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is CNCC1CCCN1C(=O)CCNS(=O)(=O)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-[3-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-oxopropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The InChIKey is WVDFEYYYTGCUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3S/c1-20-14-17-7-4-12-22(17)19(23)10-11-21-26(24,25)18-9-8-15-5-2-3-6-16(15)13-18/h8-9,13,17,20-21H,2-7,10-12,14H2,1H3.
What are the key properties of N-[3-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-oxopropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
N-[3-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-oxopropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide has a molecular weight of 379.53 g/mol, XLogP of 1.44, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-oxopropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is sourced from PubChem (CID 119651405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).