1-methylsulfonyl-4-thiophen-2-ylbutan-2-amine

C9H15NO2S2 — CID 115618327

IUPAC1-methylsulfonyl-4-thiophen-2-ylbutan-2-amine
SMILESCS(=O)(=O)CC(N)CCc1cccs1
InChIInChI=1S/C9H15NO2S2/c1-14(11,12)7-8(10)4-5-9-3-2-6-13-9/h2-3,6,8H,4-5,7,10H2,1H3
InChIKeyDNPPMOXDCRBSLV-UHFFFAOYSA-N
MW233.36 g/mol
LogP1.05
Rot. Bonds5

About 1-methylsulfonyl-4-thiophen-2-ylbutan-2-amine

1-methylsulfonyl-4-thiophen-2-ylbutan-2-amine (PubChem CID 115618327) has the molecular formula C9H15NO2S2 and a molecular weight of 233.36 g/mol. Its IUPAC name is 1-methylsulfonyl-4-thiophen-2-ylbutan-2-amine.

Molecular Properties

Compound Name1-methylsulfonyl-4-thiophen-2-ylbutan-2-amine
PubChem CID115618327
Molecular FormulaC9H15NO2S2
Molecular Weight233.36 g/mol
Exact Mass233.05
IUPAC Name1-methylsulfonyl-4-thiophen-2-ylbutan-2-amine
SMILESCS(=O)(=O)CC(N)CCc1cccs1
InChIInChI=1S/C9H15NO2S2/c1-14(11,12)7-8(10)4-5-9-3-2-6-13-9/h2-3,6,8H,4-5,7,10H2,1H3
InChIKeyDNPPMOXDCRBSLV-UHFFFAOYSA-N
XLogP1.05
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-6-methylsulfonyl-1-thiophen-2-ylhexan-3-one
CID 116551988
1-methylsulfonyl-4-phenylbutan-2-amine
CID 115601043
1-N,1-N-dimethyl-5-thiophen-2-ylpentane-1,3-diamine
CID 115346068
(1-methylsulfonyl-7-thiophen-2-ylheptan-4-yl)hydrazine
CID 105290949
1-(2-methylphenyl)-4-thiophen-2-ylbutan-2-amine
CID 63774241
2-(2-thiophen-2-ylethylsulfonyl)propan-1-amine
CID 81187038
4-thiophen-2-yl-1-(2,2,2-trifluoroethoxy)butan-2-amine
CID 103215355
7-thiophen-2-ylheptan-3-amine
CID 64505571
N-methyl-1-methylsulfonyl-7-thiophen-2-ylheptan-4-amine
CID 105113307
1-(4-chlorophenyl)-4-thiophen-2-ylbutan-2-amine
CID 63774417
1-(5-methylthiophen-2-yl)-3-thiophen-2-ylpropan-1-amine
CID 115861149
3-methyl-5-thiophen-2-ylpentan-1-amine
CID 65300701

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-4-thiophen-2-ylbutan-2-amine?
The IUPAC name of 1-methylsulfonyl-4-thiophen-2-ylbutan-2-amine (CID 115618327) is 1-methylsulfonyl-4-thiophen-2-ylbutan-2-amine.
What is the SMILES notation for 1-methylsulfonyl-4-thiophen-2-ylbutan-2-amine?
The canonical SMILES for 1-methylsulfonyl-4-thiophen-2-ylbutan-2-amine is CS(=O)(=O)CC(N)CCc1cccs1.
What is the InChIKey of 1-methylsulfonyl-4-thiophen-2-ylbutan-2-amine?
The InChIKey is DNPPMOXDCRBSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2S2/c1-14(11,12)7-8(10)4-5-9-3-2-6-13-9/h2-3,6,8H,4-5,7,10H2,1H3.
What are the key properties of 1-methylsulfonyl-4-thiophen-2-ylbutan-2-amine?
1-methylsulfonyl-4-thiophen-2-ylbutan-2-amine has a molecular weight of 233.36 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-4-thiophen-2-ylbutan-2-amine is sourced from PubChem (CID 115618327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).