N-[3-(3-aminopiperidin-1-yl)-3-oxopropyl]naphthalene-2-sulfonamide

C18H23N3O3S — CID 119380130

IUPACN-[3-(3-aminopiperidin-1-yl)-3-oxopropyl]naphthalene-2-sulfonamide
SMILESNC1CCCN(C(=O)CCNS(=O)(=O)c2ccc3ccccc3c2)C1
InChIInChI=1S/C18H23N3O3S/c19-16-6-3-11-21(13-16)18(22)9-10-20-25(23,24)17-8-7-14-4-1-2-5-15(14)12-17/h1-2,4-5,7-8,12,16,20H,3,6,9-11,13,19H2
InChIKeyANPGMEPDMIGLFI-UHFFFAOYSA-N
MW361.47 g/mol
LogP1.46
Rot. Bonds5

About N-[3-(3-aminopiperidin-1-yl)-3-oxopropyl]naphthalene-2-sulfonamide

N-[3-(3-aminopiperidin-1-yl)-3-oxopropyl]naphthalene-2-sulfonamide (PubChem CID 119380130) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is N-[3-(3-aminopiperidin-1-yl)-3-oxopropyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-(3-aminopiperidin-1-yl)-3-oxopropyl]naphthalene-2-sulfonamide
PubChem CID119380130
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC NameN-[3-(3-aminopiperidin-1-yl)-3-oxopropyl]naphthalene-2-sulfonamide
SMILESNC1CCCN(C(=O)CCNS(=O)(=O)c2ccc3ccccc3c2)C1
InChIInChI=1S/C18H23N3O3S/c19-16-6-3-11-21(13-16)18(22)9-10-20-25(23,24)17-8-7-14-4-1-2-5-15(14)12-17/h1-2,4-5,7-8,12,16,20H,3,6,9-11,13,19H2
InChIKeyANPGMEPDMIGLFI-UHFFFAOYSA-N
XLogP1.46
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-oxo-3-(4-pyrrolidin-1-ylpiperidin-1-yl)propyl]naphthalene-2-sulfonamide
CID 56550806
3-(naphthalen-2-ylsulfonylamino)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide
CID 17459741
N-[3-[2-(aminomethyl)pyrrolidin-1-yl]-3-oxopropyl]naphthalene-2-sulfonamide
CID 119633298
N-[3-(3-aminopiperidin-1-yl)-3-oxopropyl]-2-fluorobenzenesulfonamide
CID 119381616
(2S)-1-[3-(naphthalen-2-ylsulfonylamino)propanoyl]pyrrolidine-2-carboxylic acid
CID 119366041
N-[3-[(3R)-3-aminopyrrolidin-1-yl]-3-oxopropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;hydrochloride
CID 119412609
1-(3-aminopiperidin-1-yl)-2-naphthalen-2-ylethanone
CID 61297397
N-[3-[2-(aminomethyl)piperidin-1-yl]-3-oxopropyl]naphthalene-2-sulfonamide
CID 119468452
4-(naphthalen-2-ylsulfonylamino)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)butanamide
CID 39948497
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]-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 119381659
N-[3-oxo-3-[2-(2-phenylethyl)pyrrolidin-1-yl]propyl]naphthalene-2-sulfonamide
CID 55925214

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-aminopiperidin-1-yl)-3-oxopropyl]naphthalene-2-sulfonamide?
The IUPAC name of N-[3-(3-aminopiperidin-1-yl)-3-oxopropyl]naphthalene-2-sulfonamide (CID 119380130) is N-[3-(3-aminopiperidin-1-yl)-3-oxopropyl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[3-(3-aminopiperidin-1-yl)-3-oxopropyl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[3-(3-aminopiperidin-1-yl)-3-oxopropyl]naphthalene-2-sulfonamide is NC1CCCN(C(=O)CCNS(=O)(=O)c2ccc3ccccc3c2)C1.
What is the InChIKey of N-[3-(3-aminopiperidin-1-yl)-3-oxopropyl]naphthalene-2-sulfonamide?
The InChIKey is ANPGMEPDMIGLFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c19-16-6-3-11-21(13-16)18(22)9-10-20-25(23,24)17-8-7-14-4-1-2-5-15(14)12-17/h1-2,4-5,7-8,12,16,20H,3,6,9-11,13,19H2.
What are the key properties of N-[3-(3-aminopiperidin-1-yl)-3-oxopropyl]naphthalene-2-sulfonamide?
N-[3-(3-aminopiperidin-1-yl)-3-oxopropyl]naphthalene-2-sulfonamide has a molecular weight of 361.47 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-aminopiperidin-1-yl)-3-oxopropyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 119380130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).