3-(1-aminopropyl)-N-[(2-methylthiolan-2-yl)methyl]benzenesulfonamide

C15H24N2O2S2 — CID 80743494

IUPAC3-(1-aminopropyl)-N-[(2-methylthiolan-2-yl)methyl]benzenesulfonamide
SMILESCCC(N)c1cccc(S(=O)(=O)NCC2(C)CCCS2)c1
InChIInChI=1S/C15H24N2O2S2/c1-3-14(16)12-6-4-7-13(10-12)21(18,19)17-11-15(2)8-5-9-20-15/h4,6-7,10,14,17H,3,5,8-9,11,16H2,1-2H3
InChIKeySRVXQAOCEVVSIT-UHFFFAOYSA-N
MW328.50 g/mol
LogP2.66
Rot. Bonds6

About 3-(1-aminopropyl)-N-[(2-methylthiolan-2-yl)methyl]benzenesulfonamide

3-(1-aminopropyl)-N-[(2-methylthiolan-2-yl)methyl]benzenesulfonamide (PubChem CID 80743494) has the molecular formula C15H24N2O2S2 and a molecular weight of 328.50 g/mol. Its IUPAC name is 3-(1-aminopropyl)-N-[(2-methylthiolan-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-(1-aminopropyl)-N-[(2-methylthiolan-2-yl)methyl]benzenesulfonamide
PubChem CID80743494
Molecular FormulaC15H24N2O2S2
Molecular Weight328.50 g/mol
Exact Mass328.13
IUPAC Name3-(1-aminopropyl)-N-[(2-methylthiolan-2-yl)methyl]benzenesulfonamide
SMILESCCC(N)c1cccc(S(=O)(=O)NCC2(C)CCCS2)c1
InChIInChI=1S/C15H24N2O2S2/c1-3-14(16)12-6-4-7-13(10-12)21(18,19)17-11-15(2)8-5-9-20-15/h4,6-7,10,14,17H,3,5,8-9,11,16H2,1-2H3
InChIKeySRVXQAOCEVVSIT-UHFFFAOYSA-N
XLogP2.66
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(1-aminopropyl)-N-[(2-methylthiolan-2-yl)methyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1-hydroxyethyl)-N-[(2-methylthiolan-2-yl)methyl]benzenesulfonamide
CID 80743981
3-(methylaminomethyl)-N-[(2-methylthiolan-2-yl)methyl]benzenesulfonamide
CID 106073676
3-acetyl-N-[(2-methylthiolan-2-yl)methyl]benzenesulfonamide
CID 80527077
4-hydroxy-N-[(2-methylthiolan-2-yl)methyl]benzenesulfonamide
CID 80742757
3-(1-aminopropyl)-N-(cyclopropylmethyl)benzenesulfonamide
CID 60874157
2-[[3-(1-aminopropyl)phenyl]sulfonylamino]-N-propan-2-ylacetamide
CID 60872861
4-[(2-methylthiolan-2-yl)methylsulfamoyl]benzenecarbothioamide
CID 80736830
4-amino-N-ethyl-3-[(2-methylthiolan-2-yl)methylamino]benzenesulfonamide
CID 82902157
2-amino-6-fluoro-N-[(2-methylthiolan-2-yl)methyl]benzenesulfonamide
CID 80726242
3-chloro-4-(methylaminomethyl)-N-[(2-methylthiolan-2-yl)methyl]benzenesulfonamide
CID 106073765
3-(1-aminopropyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 60872660
3-(1-aminopropyl)-N-(thiolan-3-yl)benzenesulfonamide
CID 103063575

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminopropyl)-N-[(2-methylthiolan-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 3-(1-aminopropyl)-N-[(2-methylthiolan-2-yl)methyl]benzenesulfonamide (CID 80743494) is 3-(1-aminopropyl)-N-[(2-methylthiolan-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-(1-aminopropyl)-N-[(2-methylthiolan-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 3-(1-aminopropyl)-N-[(2-methylthiolan-2-yl)methyl]benzenesulfonamide is CCC(N)c1cccc(S(=O)(=O)NCC2(C)CCCS2)c1.
What is the InChIKey of 3-(1-aminopropyl)-N-[(2-methylthiolan-2-yl)methyl]benzenesulfonamide?
The InChIKey is SRVXQAOCEVVSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S2/c1-3-14(16)12-6-4-7-13(10-12)21(18,19)17-11-15(2)8-5-9-20-15/h4,6-7,10,14,17H,3,5,8-9,11,16H2,1-2H3.
What are the key properties of 3-(1-aminopropyl)-N-[(2-methylthiolan-2-yl)methyl]benzenesulfonamide?
3-(1-aminopropyl)-N-[(2-methylthiolan-2-yl)methyl]benzenesulfonamide has a molecular weight of 328.50 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminopropyl)-N-[(2-methylthiolan-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 80743494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).