5-(dimethylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]naphthalene-1-sulfonamide

C19H25N3O3S — CID 10287154

IUPAC5-(dimethylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]naphthalene-1-sulfonamide
SMILESCN(C)c1cccc2c(S(=O)(=O)NCCCN3CCCC3=O)cccc12
InChIInChI=1S/C19H25N3O3S/c1-21(2)17-9-3-8-16-15(17)7-4-10-18(16)26(24,25)20-12-6-14-22-13-5-11-19(22)23/h3-4,7-10,20H,5-6,11-14H2,1-2H3
InChIKeyJNFDPZXNKMXBNV-UHFFFAOYSA-N
MW375.49 g/mol
LogP2.20
Rot. Bonds7

About 5-(dimethylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]naphthalene-1-sulfonamide

5-(dimethylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]naphthalene-1-sulfonamide (PubChem CID 10287154) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is 5-(dimethylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]naphthalene-1-sulfonamide.

Molecular Properties

Compound Name5-(dimethylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]naphthalene-1-sulfonamide
PubChem CID10287154
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC Name5-(dimethylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]naphthalene-1-sulfonamide
SMILESCN(C)c1cccc2c(S(=O)(=O)NCCCN3CCCC3=O)cccc12
InChIInChI=1S/C19H25N3O3S/c1-21(2)17-9-3-8-16-15(17)7-4-10-18(16)26(24,25)20-12-6-14-22-13-5-11-19(22)23/h3-4,7-10,20H,5-6,11-14H2,1-2H3
InChIKeyJNFDPZXNKMXBNV-UHFFFAOYSA-N
XLogP2.20
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]naphthalene-1-sulfonamide?
The IUPAC name of 5-(dimethylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]naphthalene-1-sulfonamide (CID 10287154) is 5-(dimethylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]naphthalene-1-sulfonamide.
What is the SMILES notation for 5-(dimethylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]naphthalene-1-sulfonamide?
The canonical SMILES for 5-(dimethylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]naphthalene-1-sulfonamide is CN(C)c1cccc2c(S(=O)(=O)NCCCN3CCCC3=O)cccc12.
What is the InChIKey of 5-(dimethylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]naphthalene-1-sulfonamide?
The InChIKey is JNFDPZXNKMXBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-21(2)17-9-3-8-16-15(17)7-4-10-18(16)26(24,25)20-12-6-14-22-13-5-11-19(22)23/h3-4,7-10,20H,5-6,11-14H2,1-2H3.
What are the key properties of 5-(dimethylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]naphthalene-1-sulfonamide?
5-(dimethylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]naphthalene-1-sulfonamide has a molecular weight of 375.49 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]naphthalene-1-sulfonamide is sourced from PubChem (CID 10287154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).