1-methylsulfonyl-N-propyl-4-thiophen-3-ylbutan-2-amine

C12H21NO2S2 — CID 115623841

IUPAC1-methylsulfonyl-N-propyl-4-thiophen-3-ylbutan-2-amine
SMILESCCCNC(CCc1ccsc1)CS(C)(=O)=O
InChIInChI=1S/C12H21NO2S2/c1-3-7-13-12(10-17(2,14)15)5-4-11-6-8-16-9-11/h6,8-9,12-13H,3-5,7,10H2,1-2H3
InChIKeyQGFWGSOKWJEOPE-UHFFFAOYSA-N
MW275.44 g/mol
LogP2.09
Rot. Bonds8

About 1-methylsulfonyl-N-propyl-4-thiophen-3-ylbutan-2-amine

1-methylsulfonyl-N-propyl-4-thiophen-3-ylbutan-2-amine (PubChem CID 115623841) has the molecular formula C12H21NO2S2 and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-methylsulfonyl-N-propyl-4-thiophen-3-ylbutan-2-amine.

Molecular Properties

Compound Name1-methylsulfonyl-N-propyl-4-thiophen-3-ylbutan-2-amine
PubChem CID115623841
Molecular FormulaC12H21NO2S2
Molecular Weight275.44 g/mol
Exact Mass275.10
IUPAC Name1-methylsulfonyl-N-propyl-4-thiophen-3-ylbutan-2-amine
SMILESCCCNC(CCc1ccsc1)CS(C)(=O)=O
InChIInChI=1S/C12H21NO2S2/c1-3-7-13-12(10-17(2,14)15)5-4-11-6-8-16-9-11/h6,8-9,12-13H,3-5,7,10H2,1-2H3
InChIKeyQGFWGSOKWJEOPE-UHFFFAOYSA-N
XLogP2.09
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-methylsulfonyl-4-thiophen-3-ylbutan-2-amine
CID 115623839
N-propyl-1-thiophen-3-ylheptan-3-amine
CID 79411760
4-(4-methoxyphenyl)-1-methylsulfonyl-N-propylbutan-2-amine
CID 115648572
1-cyclopentyl-N-propyl-5-thiophen-3-ylpentan-3-amine
CID 115856935
1-(2-bromophenyl)sulfanyl-N-propyl-4-thiophen-3-ylbutan-2-amine
CID 66145067
1-(3-ethyl-2-pyridinyl)-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 82741172
1-(oxan-2-yl)-N-propyl-5-thiophen-3-ylpentan-3-amine
CID 115857206
1-(3-chlorophenoxy)-N-propyl-4-thiophen-3-ylbutan-2-amine
CID 105147847
3,3-dimethyl-N-propyl-2-(2-thiophen-3-ylethyl)butan-1-amine
CID 83139408
1-cyclobutyl-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 64986471
1-(2-methyl-1,3-thiazol-4-yl)-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 105147754
N-propyl-3-thiophen-3-yl-1-(2,4,6-trimethylphenyl)propan-1-amine
CID 115857109

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-propyl-4-thiophen-3-ylbutan-2-amine?
The IUPAC name of 1-methylsulfonyl-N-propyl-4-thiophen-3-ylbutan-2-amine (CID 115623841) is 1-methylsulfonyl-N-propyl-4-thiophen-3-ylbutan-2-amine.
What is the SMILES notation for 1-methylsulfonyl-N-propyl-4-thiophen-3-ylbutan-2-amine?
The canonical SMILES for 1-methylsulfonyl-N-propyl-4-thiophen-3-ylbutan-2-amine is CCCNC(CCc1ccsc1)CS(C)(=O)=O.
What is the InChIKey of 1-methylsulfonyl-N-propyl-4-thiophen-3-ylbutan-2-amine?
The InChIKey is QGFWGSOKWJEOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2S2/c1-3-7-13-12(10-17(2,14)15)5-4-11-6-8-16-9-11/h6,8-9,12-13H,3-5,7,10H2,1-2H3.
What are the key properties of 1-methylsulfonyl-N-propyl-4-thiophen-3-ylbutan-2-amine?
1-methylsulfonyl-N-propyl-4-thiophen-3-ylbutan-2-amine has a molecular weight of 275.44 g/mol, XLogP of 2.09, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-propyl-4-thiophen-3-ylbutan-2-amine is sourced from PubChem (CID 115623841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).