3-[(5-chlorothiophen-2-yl)methylsulfonyl]-2-methylpropan-1-amine

C9H14ClNO2S2 — CID 81202609

IUPAC3-[(5-chlorothiophen-2-yl)methylsulfonyl]-2-methylpropan-1-amine
SMILESCC(CN)CS(=O)(=O)Cc1ccc(Cl)s1
InChIInChI=1S/C9H14ClNO2S2/c1-7(4-11)5-15(12,13)6-8-2-3-9(10)14-8/h2-3,7H,4-6,11H2,1H3
InChIKeyXUBKUESXTCXVPU-UHFFFAOYSA-N
MW267.80 g/mol
LogP1.91
Rot. Bonds5

About 3-[(5-chlorothiophen-2-yl)methylsulfonyl]-2-methylpropan-1-amine

3-[(5-chlorothiophen-2-yl)methylsulfonyl]-2-methylpropan-1-amine (PubChem CID 81202609) has the molecular formula C9H14ClNO2S2 and a molecular weight of 267.80 g/mol. Its IUPAC name is 3-[(5-chlorothiophen-2-yl)methylsulfonyl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-[(5-chlorothiophen-2-yl)methylsulfonyl]-2-methylpropan-1-amine
PubChem CID81202609
Molecular FormulaC9H14ClNO2S2
Molecular Weight267.80 g/mol
Exact Mass267.02
IUPAC Name3-[(5-chlorothiophen-2-yl)methylsulfonyl]-2-methylpropan-1-amine
SMILESCC(CN)CS(=O)(=O)Cc1ccc(Cl)s1
InChIInChI=1S/C9H14ClNO2S2/c1-7(4-11)5-15(12,13)6-8-2-3-9(10)14-8/h2-3,7H,4-6,11H2,1H3
InChIKeyXUBKUESXTCXVPU-UHFFFAOYSA-N
XLogP1.91
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(5-chlorothiophen-2-yl)methylsulfonyl]-2-methylpropan-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

3-[(5-chlorothiophen-2-yl)methylsulfanyl]-2-methylpropan-1-amine
CID 66224951
3-[(3-chlorophenyl)methylsulfonyl]-2-methylpropan-1-amine
CID 81202387
3-[(5-chlorothiophen-2-yl)methylsulfonyl]butanoic acid
CID 66115690
3-(aminomethyl)-1-(5-chlorothiophen-2-yl)-5-methylhexan-2-one
CID 116597969
[1-(5-chlorothiophen-2-yl)-3-methylsulfonylbutan-2-yl]hydrazine
CID 105295975
4-[(3-amino-2-methylpropyl)sulfonylmethyl]benzamide
CID 81196401
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpropanamide
CID 60937566
(2R)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpropanamide
CID 78973111
2-chloro-5-(4-chloro-3-methylbutyl)thiophene
CID 64665256
N-[2-(5-chlorothiophen-2-yl)ethyl]-1-cyanoethanesulfonamide
CID 106035235
2-[(5-chlorothiophen-2-yl)methylsulfonyl]-N-ethyl-N-phenylacetamide
CID 78793964
2-N-[(5-chlorothiophen-2-yl)methyl]-2-N,3-dimethylpentane-1,2-diamine
CID 61438257

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chlorothiophen-2-yl)methylsulfonyl]-2-methylpropan-1-amine?
The IUPAC name of 3-[(5-chlorothiophen-2-yl)methylsulfonyl]-2-methylpropan-1-amine (CID 81202609) is 3-[(5-chlorothiophen-2-yl)methylsulfonyl]-2-methylpropan-1-amine.
What is the SMILES notation for 3-[(5-chlorothiophen-2-yl)methylsulfonyl]-2-methylpropan-1-amine?
The canonical SMILES for 3-[(5-chlorothiophen-2-yl)methylsulfonyl]-2-methylpropan-1-amine is CC(CN)CS(=O)(=O)Cc1ccc(Cl)s1.
What is the InChIKey of 3-[(5-chlorothiophen-2-yl)methylsulfonyl]-2-methylpropan-1-amine?
The InChIKey is XUBKUESXTCXVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClNO2S2/c1-7(4-11)5-15(12,13)6-8-2-3-9(10)14-8/h2-3,7H,4-6,11H2,1H3.
What are the key properties of 3-[(5-chlorothiophen-2-yl)methylsulfonyl]-2-methylpropan-1-amine?
3-[(5-chlorothiophen-2-yl)methylsulfonyl]-2-methylpropan-1-amine has a molecular weight of 267.80 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chlorothiophen-2-yl)methylsulfonyl]-2-methylpropan-1-amine is sourced from PubChem (CID 81202609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).