1-thiophen-2-ylsulfinylpentan-2-amine

C9H15NOS2 — CID 64652798

IUPAC1-thiophen-2-ylsulfinylpentan-2-amine
SMILESCCCC(N)CS(=O)c1cccs1
InChIInChI=1S/C9H15NOS2/c1-2-4-8(10)7-13(11)9-5-3-6-12-9/h3,5-6,8H,2,4,7,10H2,1H3
InChIKeyDFIDZRGHAOYSHB-UHFFFAOYSA-N
MW217.36 g/mol
LogP1.98
Rot. Bonds5

About 1-thiophen-2-ylsulfinylpentan-2-amine

1-thiophen-2-ylsulfinylpentan-2-amine (PubChem CID 64652798) has the molecular formula C9H15NOS2 and a molecular weight of 217.36 g/mol. Its IUPAC name is 1-thiophen-2-ylsulfinylpentan-2-amine.

Molecular Properties

Compound Name1-thiophen-2-ylsulfinylpentan-2-amine
PubChem CID64652798
Molecular FormulaC9H15NOS2
Molecular Weight217.36 g/mol
Exact Mass217.06
IUPAC Name1-thiophen-2-ylsulfinylpentan-2-amine
SMILESCCCC(N)CS(=O)c1cccs1
InChIInChI=1S/C9H15NOS2/c1-2-4-8(10)7-13(11)9-5-3-6-12-9/h3,5-6,8H,2,4,7,10H2,1H3
InChIKeyDFIDZRGHAOYSHB-UHFFFAOYSA-N
XLogP1.98
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methoxy-3-thiophen-2-ylsulfinylpropan-2-amine
CID 107508763
1-thiophen-2-ylsulfanylpentan-2-amine
CID 64615474
3-(methylamino)-4-thiophen-2-ylsulfinylbutan-1-ol
CID 64900182
N-ethyl-3,3-dimethyl-1-thiophen-2-ylsulfinylbutan-2-amine
CID 64653627
3-thiophen-2-ylsulfinylpentan-1-amine
CID 81329352
1-N-methyl-1-N-(thiophen-2-ylmethyl)pentane-1,2-diamine
CID 43650477
1-(2,5-difluorophenyl)sulfinylpentan-2-amine
CID 64651062
N-methyl-4-thiophen-2-ylsulfinylbutan-2-amine
CID 64653423
1-(oxolan-3-yl)-2-thiophen-2-ylsulfinylethanamine
CID 104754556
N-ethyl-1-(4-ethylphenyl)-2-thiophen-2-ylsulfinylethanamine
CID 64653013
N-ethyl-5-thiophen-2-ylsulfinylpentan-2-amine
CID 64652385
N-propyl-3-thiophen-2-ylsulfinylpropan-1-amine
CID 64654040

Frequently Asked Questions

What is the IUPAC name of 1-thiophen-2-ylsulfinylpentan-2-amine?
The IUPAC name of 1-thiophen-2-ylsulfinylpentan-2-amine (CID 64652798) is 1-thiophen-2-ylsulfinylpentan-2-amine.
What is the SMILES notation for 1-thiophen-2-ylsulfinylpentan-2-amine?
The canonical SMILES for 1-thiophen-2-ylsulfinylpentan-2-amine is CCCC(N)CS(=O)c1cccs1.
What is the InChIKey of 1-thiophen-2-ylsulfinylpentan-2-amine?
The InChIKey is DFIDZRGHAOYSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NOS2/c1-2-4-8(10)7-13(11)9-5-3-6-12-9/h3,5-6,8H,2,4,7,10H2,1H3.
What are the key properties of 1-thiophen-2-ylsulfinylpentan-2-amine?
1-thiophen-2-ylsulfinylpentan-2-amine has a molecular weight of 217.36 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-2-ylsulfinylpentan-2-amine is sourced from PubChem (CID 64652798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).