2,2-dimethyl-4-thiophen-2-ylsulfinylbutan-1-amine

C10H17NOS2 — CID 81328342

IUPAC2,2-dimethyl-4-thiophen-2-ylsulfinylbutan-1-amine
SMILESCC(C)(CN)CCS(=O)c1cccs1
InChIInChI=1S/C10H17NOS2/c1-10(2,8-11)5-7-14(12)9-4-3-6-13-9/h3-4,6H,5,7-8,11H2,1-2H3
InChIKeyOJAFBWRQDTXPPM-UHFFFAOYSA-N
MW231.39 g/mol
LogP2.23
Rot. Bonds5

About 2,2-dimethyl-4-thiophen-2-ylsulfinylbutan-1-amine

2,2-dimethyl-4-thiophen-2-ylsulfinylbutan-1-amine (PubChem CID 81328342) has the molecular formula C10H17NOS2 and a molecular weight of 231.39 g/mol. Its IUPAC name is 2,2-dimethyl-4-thiophen-2-ylsulfinylbutan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-4-thiophen-2-ylsulfinylbutan-1-amine
PubChem CID81328342
Molecular FormulaC10H17NOS2
Molecular Weight231.39 g/mol
Exact Mass231.08
IUPAC Name2,2-dimethyl-4-thiophen-2-ylsulfinylbutan-1-amine
SMILESCC(C)(CN)CCS(=O)c1cccs1
InChIInChI=1S/C10H17NOS2/c1-10(2,8-11)5-7-14(12)9-4-3-6-13-9/h3-4,6H,5,7-8,11H2,1-2H3
InChIKeyOJAFBWRQDTXPPM-UHFFFAOYSA-N
XLogP2.23
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.39
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-5-thiophen-2-ylsulfinylpentanenitrile
CID 65262840
N',2,2-trimethyl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine
CID 65247464
4-(4-methoxyphenyl)sulfinyl-2,2-dimethylbutan-1-amine
CID 81329116
2,2-dimethyl-4-(4-methylsulfonylphenyl)sulfinylbutan-1-amine
CID 81333896
5-(2,6-dichlorophenyl)sulfinyl-2,2-dimethylpentan-1-amine
CID 115477764
2-tert-butylsulfinylthiophene
CID 784928
2,2-dimethyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)pentane-1,5-diamine
CID 65254528
N-methyl-4-thiophen-2-ylsulfinylbutan-2-amine
CID 64653423
N-ethyl-5-thiophen-2-ylsulfinylpentan-2-amine
CID 64652385
N-propyl-3-thiophen-2-ylsulfinylpropan-1-amine
CID 64654040
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-thiophen-2-ylacetamide
CID 79653255
5-(2-methoxyphenyl)sulfinyl-2,2-dimethylpentan-1-amine
CID 81329091

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-thiophen-2-ylsulfinylbutan-1-amine?
The IUPAC name of 2,2-dimethyl-4-thiophen-2-ylsulfinylbutan-1-amine (CID 81328342) is 2,2-dimethyl-4-thiophen-2-ylsulfinylbutan-1-amine.
What is the SMILES notation for 2,2-dimethyl-4-thiophen-2-ylsulfinylbutan-1-amine?
The canonical SMILES for 2,2-dimethyl-4-thiophen-2-ylsulfinylbutan-1-amine is CC(C)(CN)CCS(=O)c1cccs1.
What is the InChIKey of 2,2-dimethyl-4-thiophen-2-ylsulfinylbutan-1-amine?
The InChIKey is OJAFBWRQDTXPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NOS2/c1-10(2,8-11)5-7-14(12)9-4-3-6-13-9/h3-4,6H,5,7-8,11H2,1-2H3.
What are the key properties of 2,2-dimethyl-4-thiophen-2-ylsulfinylbutan-1-amine?
2,2-dimethyl-4-thiophen-2-ylsulfinylbutan-1-amine has a molecular weight of 231.39 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-thiophen-2-ylsulfinylbutan-1-amine is sourced from PubChem (CID 81328342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).