3-(propylaminomethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide

C15H24N2O2S2 — CID 106071732

IUPAC3-(propylaminomethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide
SMILESCCCNCc1cccc(S(=O)(=O)NCC2CCCS2)c1
InChIInChI=1S/C15H24N2O2S2/c1-2-8-16-11-13-5-3-7-15(10-13)21(18,19)17-12-14-6-4-9-20-14/h3,5,7,10,14,16-17H,2,4,6,8-9,11-12H2,1H3
InChIKeySIDGCOGWKZAARE-UHFFFAOYSA-N
MW328.50 g/mol
LogP2.36
Rot. Bonds8

About 3-(propylaminomethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide

3-(propylaminomethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide (PubChem CID 106071732) has the molecular formula C15H24N2O2S2 and a molecular weight of 328.50 g/mol. Its IUPAC name is 3-(propylaminomethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(propylaminomethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide
PubChem CID106071732
Molecular FormulaC15H24N2O2S2
Molecular Weight328.50 g/mol
Exact Mass328.13
IUPAC Name3-(propylaminomethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide
SMILESCCCNCc1cccc(S(=O)(=O)NCC2CCCS2)c1
InChIInChI=1S/C15H24N2O2S2/c1-2-8-16-11-13-5-3-7-15(10-13)21(18,19)17-12-14-6-4-9-20-14/h3,5,7,10,14,16-17H,2,4,6,8-9,11-12H2,1H3
InChIKeySIDGCOGWKZAARE-UHFFFAOYSA-N
XLogP2.36
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(ethylaminomethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide
CID 106071571
3-[(propan-2-ylamino)methyl]-N-(thiolan-2-ylmethyl)benzenesulfonamide
CID 106071641
3-(methylaminomethyl)-N-(thian-2-ylmethyl)benzenesulfonamide
CID 106072115
5-(propylaminomethyl)-N-(thian-2-ylmethyl)thiophene-3-sulfonamide
CID 106072161
3-(propylaminomethyl)-N-thiophen-3-ylbenzenesulfonamide
CID 106070111
2-bromo-5-(propylaminomethyl)-N-(thiolan-2-ylmethyl)thiophene-3-sulfonamide
CID 106071616
N-piperidin-1-yl-3-(propylaminomethyl)benzenesulfonamide
CID 106075384
N-pentan-3-yl-3-(propylaminomethyl)benzenesulfonamide
CID 106032210
4-(propylamino)-N-(thian-2-ylmethyl)benzenesulfonamide
CID 80609830
N-[[3-(methoxymethyl)phenyl]methyl]-1-(thian-2-yl)methanamine
CID 80600459
N-pentan-2-yl-3-(propylaminomethyl)benzenesulfonamide
CID 106046653
3-(propylaminomethyl)-N-pyridin-2-ylbenzenesulfonamide
CID 106082573

Frequently Asked Questions

What is the IUPAC name of 3-(propylaminomethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-(propylaminomethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide (CID 106071732) is 3-(propylaminomethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-(propylaminomethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-(propylaminomethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide is CCCNCc1cccc(S(=O)(=O)NCC2CCCS2)c1.
What is the InChIKey of 3-(propylaminomethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide?
The InChIKey is SIDGCOGWKZAARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S2/c1-2-8-16-11-13-5-3-7-15(10-13)21(18,19)17-12-14-6-4-9-20-14/h3,5,7,10,14,16-17H,2,4,6,8-9,11-12H2,1H3.
What are the key properties of 3-(propylaminomethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide?
3-(propylaminomethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide has a molecular weight of 328.50 g/mol, XLogP of 2.36, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propylaminomethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 106071732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).