3-methylsulfinyl-N-(1-thiophen-2-ylpropyl)butan-1-amine

C12H21NOS2 — CID 115894417

IUPAC3-methylsulfinyl-N-(1-thiophen-2-ylpropyl)butan-1-amine
SMILESCCC(NCCC(C)S(C)=O)c1cccs1
InChIInChI=1S/C12H21NOS2/c1-4-11(12-6-5-9-15-12)13-8-7-10(2)16(3)14/h5-6,9-11,13H,4,7-8H2,1-3H3
InChIKeyIQBXFPPPCUUBLV-UHFFFAOYSA-N
MW259.44 g/mol
LogP2.95
Rot. Bonds7

About 3-methylsulfinyl-N-(1-thiophen-2-ylpropyl)butan-1-amine

3-methylsulfinyl-N-(1-thiophen-2-ylpropyl)butan-1-amine (PubChem CID 115894417) has the molecular formula C12H21NOS2 and a molecular weight of 259.44 g/mol. Its IUPAC name is 3-methylsulfinyl-N-(1-thiophen-2-ylpropyl)butan-1-amine.

Molecular Properties

Compound Name3-methylsulfinyl-N-(1-thiophen-2-ylpropyl)butan-1-amine
PubChem CID115894417
Molecular FormulaC12H21NOS2
Molecular Weight259.44 g/mol
Exact Mass259.11
IUPAC Name3-methylsulfinyl-N-(1-thiophen-2-ylpropyl)butan-1-amine
SMILESCCC(NCCC(C)S(C)=O)c1cccs1
InChIInChI=1S/C12H21NOS2/c1-4-11(12-6-5-9-15-12)13-8-7-10(2)16(3)14/h5-6,9-11,13H,4,7-8H2,1-3H3
InChIKeyIQBXFPPPCUUBLV-UHFFFAOYSA-N
XLogP2.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-N-(1-thiophen-2-ylpropyl)hexan-1-amine
CID 115324978
methyl 3-(1-thiophen-2-ylpropylamino)propanoate
CID 43139675
N-[2-(4-methoxyphenyl)ethyl]-1-thiophen-2-ylpropan-1-amine
CID 43093641
2,6-dimethyl-N-(1-thiophen-2-ylpropyl)heptan-4-amine
CID 63456212
4-methyl-N-[2-(1-thiophen-2-ylpropylamino)ethyl]benzamide
CID 60965034
2-methyl-N-(1-thiophen-2-ylpropyl)propanamide
CID 61073106
N-(2-fluoroethyl)-1-thiophen-2-ylbutan-1-amine
CID 80695322
N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-thiophen-2-ylpropan-1-amine
CID 62069606
3-methylsulfinyl-N-[1-(5-methylthiophen-2-yl)ethyl]butan-1-amine
CID 84595589
1-[2-(1-thiophen-2-ylpropylamino)ethyl]imidazolidin-2-one
CID 54964422
N-(1-thiophen-2-ylpropyl)ethanesulfonamide
CID 47372817
N-ethyl-4-methyl-1-thiophen-2-ylpentan-1-amine
CID 43490552

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfinyl-N-(1-thiophen-2-ylpropyl)butan-1-amine?
The IUPAC name of 3-methylsulfinyl-N-(1-thiophen-2-ylpropyl)butan-1-amine (CID 115894417) is 3-methylsulfinyl-N-(1-thiophen-2-ylpropyl)butan-1-amine.
What is the SMILES notation for 3-methylsulfinyl-N-(1-thiophen-2-ylpropyl)butan-1-amine?
The canonical SMILES for 3-methylsulfinyl-N-(1-thiophen-2-ylpropyl)butan-1-amine is CCC(NCCC(C)S(C)=O)c1cccs1.
What is the InChIKey of 3-methylsulfinyl-N-(1-thiophen-2-ylpropyl)butan-1-amine?
The InChIKey is IQBXFPPPCUUBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NOS2/c1-4-11(12-6-5-9-15-12)13-8-7-10(2)16(3)14/h5-6,9-11,13H,4,7-8H2,1-3H3.
What are the key properties of 3-methylsulfinyl-N-(1-thiophen-2-ylpropyl)butan-1-amine?
3-methylsulfinyl-N-(1-thiophen-2-ylpropyl)butan-1-amine has a molecular weight of 259.44 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfinyl-N-(1-thiophen-2-ylpropyl)butan-1-amine is sourced from PubChem (CID 115894417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).