3-thiophen-2-ylsulfinylpentan-1-amine

C9H15NOS2 — CID 81329352

IUPAC3-thiophen-2-ylsulfinylpentan-1-amine
SMILESCCC(CCN)S(=O)c1cccs1
InChIInChI=1S/C9H15NOS2/c1-2-8(5-6-10)13(11)9-4-3-7-12-9/h3-4,7-8H,2,5-6,10H2,1H3
InChIKeyULVCGCQPVQQIER-UHFFFAOYSA-N
MW217.36 g/mol
LogP1.98
Rot. Bonds5

About 3-thiophen-2-ylsulfinylpentan-1-amine

3-thiophen-2-ylsulfinylpentan-1-amine (PubChem CID 81329352) has the molecular formula C9H15NOS2 and a molecular weight of 217.36 g/mol. Its IUPAC name is 3-thiophen-2-ylsulfinylpentan-1-amine.

Molecular Properties

Compound Name3-thiophen-2-ylsulfinylpentan-1-amine
PubChem CID81329352
Molecular FormulaC9H15NOS2
Molecular Weight217.36 g/mol
Exact Mass217.06
IUPAC Name3-thiophen-2-ylsulfinylpentan-1-amine
SMILESCCC(CCN)S(=O)c1cccs1
InChIInChI=1S/C9H15NOS2/c1-2-8(5-6-10)13(11)9-4-3-7-12-9/h3-4,7-8H,2,5-6,10H2,1H3
InChIKeyULVCGCQPVQQIER-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-thiophen-2-ylsulfinylpentan-2-amine
CID 64652798
3-(4-bromophenyl)sulfinylpentan-1-amine
CID 81329248
ethyl 2-thiophen-2-ylsulfinylbutanoate
CID 64662688
N-methyl-2-thiophen-2-ylsulfinylpentan-3-amine
CID 64653004
N-ethyl-3-thiophen-2-ylsulfinylheptan-4-amine
CID 64651350
(1S)-1-thiophen-2-ylpropane-1,3-diamine
CID 130817446
3-(thiophen-2-ylmethylsulfinyl)butan-1-amine
CID 81195723
1-methoxy-3-thiophen-2-ylsulfinylpropan-2-amine
CID 107508763
2-tert-butylsulfinylthiophene
CID 784928
3-[(3-methylphenyl)methylsulfinyl]pentan-1-amine
CID 81333511
3-methyl-4-thiophen-2-ylpentan-1-amine
CID 83934757
(2S)-N-(2-methylpropyl)-2-[(S)-thiophen-2-ylsulfinyl]propanamide
CID 97325285

Frequently Asked Questions

What is the IUPAC name of 3-thiophen-2-ylsulfinylpentan-1-amine?
The IUPAC name of 3-thiophen-2-ylsulfinylpentan-1-amine (CID 81329352) is 3-thiophen-2-ylsulfinylpentan-1-amine.
What is the SMILES notation for 3-thiophen-2-ylsulfinylpentan-1-amine?
The canonical SMILES for 3-thiophen-2-ylsulfinylpentan-1-amine is CCC(CCN)S(=O)c1cccs1.
What is the InChIKey of 3-thiophen-2-ylsulfinylpentan-1-amine?
The InChIKey is ULVCGCQPVQQIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NOS2/c1-2-8(5-6-10)13(11)9-4-3-7-12-9/h3-4,7-8H,2,5-6,10H2,1H3.
What are the key properties of 3-thiophen-2-ylsulfinylpentan-1-amine?
3-thiophen-2-ylsulfinylpentan-1-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 3-thiophen-2-ylsulfinylpentan-1-amine is sourced from PubChem (CID 81329352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).