N-[3-oxo-3-(4-pyrrolidin-1-ylpiperidin-1-yl)propyl]naphthalene-2-sulfonamide

C22H29N3O3S — CID 56550806

IUPACN-[3-oxo-3-(4-pyrrolidin-1-ylpiperidin-1-yl)propyl]naphthalene-2-sulfonamide
SMILESO=C(CCNS(=O)(=O)c1ccc2ccccc2c1)N1CCC(N2CCCC2)CC1
InChIInChI=1S/C22H29N3O3S/c26-22(25-15-10-20(11-16-25)24-13-3-4-14-24)9-12-23-29(27,28)21-8-7-18-5-1-2-6-19(18)17-21/h1-2,5-8,17,20,23H,3-4,9-16H2
InChIKeyCQSDYRNAPFLPRM-UHFFFAOYSA-N
MW415.56 g/mol
LogP2.60
Rot. Bonds6

About N-[3-oxo-3-(4-pyrrolidin-1-ylpiperidin-1-yl)propyl]naphthalene-2-sulfonamide

N-[3-oxo-3-(4-pyrrolidin-1-ylpiperidin-1-yl)propyl]naphthalene-2-sulfonamide (PubChem CID 56550806) has the molecular formula C22H29N3O3S and a molecular weight of 415.56 g/mol. Its IUPAC name is N-[3-oxo-3-(4-pyrrolidin-1-ylpiperidin-1-yl)propyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-oxo-3-(4-pyrrolidin-1-ylpiperidin-1-yl)propyl]naphthalene-2-sulfonamide
PubChem CID56550806
Molecular FormulaC22H29N3O3S
Molecular Weight415.56 g/mol
Exact Mass415.19
IUPAC NameN-[3-oxo-3-(4-pyrrolidin-1-ylpiperidin-1-yl)propyl]naphthalene-2-sulfonamide
SMILESO=C(CCNS(=O)(=O)c1ccc2ccccc2c1)N1CCC(N2CCCC2)CC1
InChIInChI=1S/C22H29N3O3S/c26-22(25-15-10-20(11-16-25)24-13-3-4-14-24)9-12-23-29(27,28)21-8-7-18-5-1-2-6-19(18)17-21/h1-2,5-8,17,20,23H,3-4,9-16H2
InChIKeyCQSDYRNAPFLPRM-UHFFFAOYSA-N
XLogP2.60
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.56
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-difluoro-N-[3-oxo-3-(4-pyrrolidin-1-ylpiperidin-1-yl)propyl]benzenesulfonamide
CID 56551060
3-(naphthalen-2-ylsulfonylamino)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide
CID 17459741
N-[3-(3-aminopiperidin-1-yl)-3-oxopropyl]naphthalene-2-sulfonamide
CID 119380130
4-(naphthalen-2-ylsulfonylamino)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)butanamide
CID 39948497
N-[3-[2-(aminomethyl)piperidin-1-yl]-3-oxopropyl]naphthalene-2-sulfonamide
CID 119468452
(2S)-1-[3-(naphthalen-2-ylsulfonylamino)propanoyl]pyrrolidine-2-carboxylic acid
CID 119366041
3-(naphthalen-2-ylsulfonylamino)-N-piperidin-1-ylpropanamide
CID 9271723
N-[3-[2-(aminomethyl)pyrrolidin-1-yl]-3-oxopropyl]naphthalene-2-sulfonamide
CID 119633298
3-methyl-1-[3-(naphthalen-2-ylsulfonylamino)propanoyl]pyrrolidine-3-carboxylic acid
CID 119256637
N-[3-oxo-3-[2-(2-phenylethyl)pyrrolidin-1-yl]propyl]naphthalene-2-sulfonamide
CID 55925214
N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
CID 2537450
4-methoxy-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 5083215

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-(4-pyrrolidin-1-ylpiperidin-1-yl)propyl]naphthalene-2-sulfonamide?
The IUPAC name of N-[3-oxo-3-(4-pyrrolidin-1-ylpiperidin-1-yl)propyl]naphthalene-2-sulfonamide (CID 56550806) is N-[3-oxo-3-(4-pyrrolidin-1-ylpiperidin-1-yl)propyl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[3-oxo-3-(4-pyrrolidin-1-ylpiperidin-1-yl)propyl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[3-oxo-3-(4-pyrrolidin-1-ylpiperidin-1-yl)propyl]naphthalene-2-sulfonamide is O=C(CCNS(=O)(=O)c1ccc2ccccc2c1)N1CCC(N2CCCC2)CC1.
What is the InChIKey of N-[3-oxo-3-(4-pyrrolidin-1-ylpiperidin-1-yl)propyl]naphthalene-2-sulfonamide?
The InChIKey is CQSDYRNAPFLPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3S/c26-22(25-15-10-20(11-16-25)24-13-3-4-14-24)9-12-23-29(27,28)21-8-7-18-5-1-2-6-19(18)17-21/h1-2,5-8,17,20,23H,3-4,9-16H2.
What are the key properties of N-[3-oxo-3-(4-pyrrolidin-1-ylpiperidin-1-yl)propyl]naphthalene-2-sulfonamide?
N-[3-oxo-3-(4-pyrrolidin-1-ylpiperidin-1-yl)propyl]naphthalene-2-sulfonamide has a molecular weight of 415.56 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-(4-pyrrolidin-1-ylpiperidin-1-yl)propyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 56550806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).