6-amino-N-(thiolan-3-ylmethyl)naphthalene-1-sulfonamide

C15H18N2O2S2 — CID 107297048

IUPAC6-amino-N-(thiolan-3-ylmethyl)naphthalene-1-sulfonamide
SMILESNc1ccc2c(S(=O)(=O)NCC3CCSC3)cccc2c1
InChIInChI=1S/C15H18N2O2S2/c16-13-4-5-14-12(8-13)2-1-3-15(14)21(18,19)17-9-11-6-7-20-10-11/h1-5,8,11,17H,6-7,9-10,16H2
InChIKeyHBDVLOZULNXWGV-UHFFFAOYSA-N
MW322.45 g/mol
LogP2.45
Rot. Bonds4

About 6-amino-N-(thiolan-3-ylmethyl)naphthalene-1-sulfonamide

6-amino-N-(thiolan-3-ylmethyl)naphthalene-1-sulfonamide (PubChem CID 107297048) has the molecular formula C15H18N2O2S2 and a molecular weight of 322.45 g/mol. Its IUPAC name is 6-amino-N-(thiolan-3-ylmethyl)naphthalene-1-sulfonamide.

Molecular Properties

Compound Name6-amino-N-(thiolan-3-ylmethyl)naphthalene-1-sulfonamide
PubChem CID107297048
Molecular FormulaC15H18N2O2S2
Molecular Weight322.45 g/mol
Exact Mass322.08
IUPAC Name6-amino-N-(thiolan-3-ylmethyl)naphthalene-1-sulfonamide
SMILESNc1ccc2c(S(=O)(=O)NCC3CCSC3)cccc2c1
InChIInChI=1S/C15H18N2O2S2/c16-13-4-5-14-12(8-13)2-1-3-15(14)21(18,19)17-9-11-6-7-20-10-11/h1-5,8,11,17H,6-7,9-10,16H2
InChIKeyHBDVLOZULNXWGV-UHFFFAOYSA-N
XLogP2.45
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-cyano-N-(thiolan-3-ylmethyl)benzenesulfonamide
CID 107294800
5-amino-2-ethyl-N-(thiolan-3-ylmethyl)benzenesulfonamide
CID 107294844
2-(3-aminoprop-1-ynyl)-N-(thiolan-3-ylmethyl)benzenesulfonamide
CID 107297965
5-amino-2,4-difluoro-N-(thiolan-3-ylmethyl)benzenesulfonamide
CID 107294857
5-amino-3-chloro-2-fluoro-N-(thiolan-3-ylmethyl)benzenesulfonamide
CID 107294823
6-amino-N-(3-methylbut-2-enyl)naphthalene-1-sulfonamide
CID 106191063
5-(aminomethyl)-2-methyl-N-(thiolan-3-ylmethyl)benzenesulfonamide
CID 106089158
4-amino-2-bromo-N-(cyclopropylmethyl)benzenesulfonamide
CID 43255757
4-amino-3-nitro-N-(thiolan-3-ylmethyl)benzenesulfonamide
CID 107297052
4-(2-aminoethyl)-N-(thiolan-3-ylmethyl)benzenesulfonamide
CID 107297050
2-amino-N-(thiolan-3-ylmethyl)quinoline-6-sulfonamide
CID 107298100
6-amino-N-(3,3-dimethylbutan-2-yl)naphthalene-1-sulfonamide
CID 104828899

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(thiolan-3-ylmethyl)naphthalene-1-sulfonamide?
The IUPAC name of 6-amino-N-(thiolan-3-ylmethyl)naphthalene-1-sulfonamide (CID 107297048) is 6-amino-N-(thiolan-3-ylmethyl)naphthalene-1-sulfonamide.
What is the SMILES notation for 6-amino-N-(thiolan-3-ylmethyl)naphthalene-1-sulfonamide?
The canonical SMILES for 6-amino-N-(thiolan-3-ylmethyl)naphthalene-1-sulfonamide is Nc1ccc2c(S(=O)(=O)NCC3CCSC3)cccc2c1.
What is the InChIKey of 6-amino-N-(thiolan-3-ylmethyl)naphthalene-1-sulfonamide?
The InChIKey is HBDVLOZULNXWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S2/c16-13-4-5-14-12(8-13)2-1-3-15(14)21(18,19)17-9-11-6-7-20-10-11/h1-5,8,11,17H,6-7,9-10,16H2.
What are the key properties of 6-amino-N-(thiolan-3-ylmethyl)naphthalene-1-sulfonamide?
6-amino-N-(thiolan-3-ylmethyl)naphthalene-1-sulfonamide has a molecular weight of 322.45 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(thiolan-3-ylmethyl)naphthalene-1-sulfonamide is sourced from PubChem (CID 107297048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).