1-(5-chloro-4-methylthiophen-2-yl)-2-methyl-2-methylsulfonyl-N-propylpropan-1-amine

C13H22ClNO2S2 — CID 102764212

IUPAC1-(5-chloro-4-methylthiophen-2-yl)-2-methyl-2-methylsulfonyl-N-propylpropan-1-amine
SMILESCCCNC(c1cc(C)c(Cl)s1)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C13H22ClNO2S2/c1-6-7-15-11(13(3,4)19(5,16)17)10-8-9(2)12(14)18-10/h8,11,15H,6-7H2,1-5H3
InChIKeyHGXOCTUKXJOMCN-UHFFFAOYSA-N
MW323.91 g/mol
LogP3.57
Rot. Bonds6

About 1-(5-chloro-4-methylthiophen-2-yl)-2-methyl-2-methylsulfonyl-N-propylpropan-1-amine

1-(5-chloro-4-methylthiophen-2-yl)-2-methyl-2-methylsulfonyl-N-propylpropan-1-amine (PubChem CID 102764212) has the molecular formula C13H22ClNO2S2 and a molecular weight of 323.91 g/mol. Its IUPAC name is 1-(5-chloro-4-methylthiophen-2-yl)-2-methyl-2-methylsulfonyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(5-chloro-4-methylthiophen-2-yl)-2-methyl-2-methylsulfonyl-N-propylpropan-1-amine
PubChem CID102764212
Molecular FormulaC13H22ClNO2S2
Molecular Weight323.91 g/mol
Exact Mass323.08
IUPAC Name1-(5-chloro-4-methylthiophen-2-yl)-2-methyl-2-methylsulfonyl-N-propylpropan-1-amine
SMILESCCCNC(c1cc(C)c(Cl)s1)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C13H22ClNO2S2/c1-6-7-15-11(13(3,4)19(5,16)17)10-8-9(2)12(14)18-10/h8,11,15H,6-7H2,1-5H3
InChIKeyHGXOCTUKXJOMCN-UHFFFAOYSA-N
XLogP3.57
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.91
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(5-chloro-4-methylthiophen-2-yl)-2-methyl-2-methylsulfonyl-N-propylpropan-1-amine 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

1-(5-chloro-4-methylthiophen-2-yl)-2-methyl-2-methylsulfonylpropan-1-ol
CID 102764411
N-[1-(5-chloro-4-methylthiophen-2-yl)ethyl]propan-1-amine
CID 102764194
2-methyl-2-methylsulfonyl-1-(5-methylthiophen-3-yl)-N-propylpropan-1-amine
CID 104991160
1-(2,4-difluoro-5-methylphenyl)-2-methyl-2-methylsulfonyl-N-propylpropan-1-amine
CID 79725643
1-(2,5-dibromo-4-methylphenyl)-2-methyl-2-methylsulfonyl-N-propylpropan-1-amine
CID 81473129
1-(5-chloro-4-methylthiophen-2-yl)-2,3-dimethyl-N-propylbutan-1-amine
CID 102764092
N-[(5-chloro-4-methylthiophen-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine
CID 102764112
N-[1-(5-chloro-4-methylthiophen-2-yl)-2-(4-chlorophenyl)ethyl]propan-1-amine
CID 102764061
N-[(5-chloro-4-methylthiophen-2-yl)-(3-methylphenyl)methyl]propan-1-amine
CID 102764197
N-[(5-chloro-4-methylthiophen-2-yl)-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine
CID 102764082
N-[(5-chloro-4-methylthiophen-2-yl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 102764221
1-(5-chloro-4-methylthiophen-2-yl)-N,3,3-trimethylbutan-1-amine
CID 102763623

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-4-methylthiophen-2-yl)-2-methyl-2-methylsulfonyl-N-propylpropan-1-amine?
The IUPAC name of 1-(5-chloro-4-methylthiophen-2-yl)-2-methyl-2-methylsulfonyl-N-propylpropan-1-amine (CID 102764212) is 1-(5-chloro-4-methylthiophen-2-yl)-2-methyl-2-methylsulfonyl-N-propylpropan-1-amine.
What is the SMILES notation for 1-(5-chloro-4-methylthiophen-2-yl)-2-methyl-2-methylsulfonyl-N-propylpropan-1-amine?
The canonical SMILES for 1-(5-chloro-4-methylthiophen-2-yl)-2-methyl-2-methylsulfonyl-N-propylpropan-1-amine is CCCNC(c1cc(C)c(Cl)s1)C(C)(C)S(C)(=O)=O.
What is the InChIKey of 1-(5-chloro-4-methylthiophen-2-yl)-2-methyl-2-methylsulfonyl-N-propylpropan-1-amine?
The InChIKey is HGXOCTUKXJOMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClNO2S2/c1-6-7-15-11(13(3,4)19(5,16)17)10-8-9(2)12(14)18-10/h8,11,15H,6-7H2,1-5H3.
What are the key properties of 1-(5-chloro-4-methylthiophen-2-yl)-2-methyl-2-methylsulfonyl-N-propylpropan-1-amine?
1-(5-chloro-4-methylthiophen-2-yl)-2-methyl-2-methylsulfonyl-N-propylpropan-1-amine has a molecular weight of 323.91 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-4-methylthiophen-2-yl)-2-methyl-2-methylsulfonyl-N-propylpropan-1-amine is sourced from PubChem (CID 102764212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).