N-[[2-(benzenesulfonylmethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine

C14H16N2O2S2 — CID 82423235

IUPACN-[[2-(benzenesulfonylmethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESO=S(=O)(Cc1ncc(CNC2CC2)s1)c1ccccc1
InChIInChI=1S/C14H16N2O2S2/c17-20(18,13-4-2-1-3-5-13)10-14-16-9-12(19-14)8-15-11-6-7-11/h1-5,9,11,15H,6-8,10H2
InChIKeyYGVQDVSDXVDYGW-UHFFFAOYSA-N
MW308.43 g/mol
LogP2.37
Rot. Bonds6

About N-[[2-(benzenesulfonylmethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine

N-[[2-(benzenesulfonylmethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine (PubChem CID 82423235) has the molecular formula C14H16N2O2S2 and a molecular weight of 308.43 g/mol. Its IUPAC name is N-[[2-(benzenesulfonylmethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(benzenesulfonylmethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
PubChem CID82423235
Molecular FormulaC14H16N2O2S2
Molecular Weight308.43 g/mol
Exact Mass308.07
IUPAC NameN-[[2-(benzenesulfonylmethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESO=S(=O)(Cc1ncc(CNC2CC2)s1)c1ccccc1
InChIInChI=1S/C14H16N2O2S2/c17-20(18,13-4-2-1-3-5-13)10-14-16-9-12(19-14)8-15-11-6-7-11/h1-5,9,11,15H,6-8,10H2
InChIKeyYGVQDVSDXVDYGW-UHFFFAOYSA-N
XLogP2.37
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[2-(benzenesulfonylmethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine 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

N-[[2-(2,2-dimethylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 63890465
N-[[2-[2-(2-methoxyphenoxy)ethyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82424057
N-[[2-(3-phenylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 62753549
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-phenylpiperidin-4-amine
CID 103625271
N-[[2-[(3-chlorophenoxy)methyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82423081
N-[[2-[(3-methoxyphenyl)methyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 61281749
2-[2-[(4-methylphenyl)sulfonylmethyl]-1,3-thiazol-5-yl]acetonitrile
CID 82423229
N-[[2-[2-(3-methoxyphenoxy)ethyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82424071
1-benzyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-amine
CID 60982783
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]cyclobutanamine
CID 63121173
N-[[2-(4,4-dimethylcyclohexyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 65390861
N-[(2-thiomorpholin-4-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine
CID 62751766

Frequently Asked Questions

What is the IUPAC name of N-[[2-(benzenesulfonylmethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(benzenesulfonylmethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine (CID 82423235) is N-[[2-(benzenesulfonylmethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(benzenesulfonylmethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(benzenesulfonylmethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine is O=S(=O)(Cc1ncc(CNC2CC2)s1)c1ccccc1.
What is the InChIKey of N-[[2-(benzenesulfonylmethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The InChIKey is YGVQDVSDXVDYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S2/c17-20(18,13-4-2-1-3-5-13)10-14-16-9-12(19-14)8-15-11-6-7-11/h1-5,9,11,15H,6-8,10H2.
What are the key properties of N-[[2-(benzenesulfonylmethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
N-[[2-(benzenesulfonylmethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine has a molecular weight of 308.43 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(benzenesulfonylmethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 82423235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).