N-methyl-4-thiophen-2-ylsulfinylbutan-2-amine

C9H15NOS2 — CID 64653423

IUPACN-methyl-4-thiophen-2-ylsulfinylbutan-2-amine
SMILESCNC(C)CCS(=O)c1cccs1
InChIInChI=1S/C9H15NOS2/c1-8(10-2)5-7-13(11)9-4-3-6-12-9/h3-4,6,8,10H,5,7H2,1-2H3
InChIKeyPLGOXBATJJDWGR-UHFFFAOYSA-N
MW217.36 g/mol
LogP1.85
Rot. Bonds5

About N-methyl-4-thiophen-2-ylsulfinylbutan-2-amine

N-methyl-4-thiophen-2-ylsulfinylbutan-2-amine (PubChem CID 64653423) has the molecular formula C9H15NOS2 and a molecular weight of 217.36 g/mol. Its IUPAC name is N-methyl-4-thiophen-2-ylsulfinylbutan-2-amine.

Molecular Properties

Compound NameN-methyl-4-thiophen-2-ylsulfinylbutan-2-amine
PubChem CID64653423
Molecular FormulaC9H15NOS2
Molecular Weight217.36 g/mol
Exact Mass217.06
IUPAC NameN-methyl-4-thiophen-2-ylsulfinylbutan-2-amine
SMILESCNC(C)CCS(=O)c1cccs1
InChIInChI=1S/C9H15NOS2/c1-8(10-2)5-7-13(11)9-4-3-6-12-9/h3-4,6,8,10H,5,7H2,1-2H3
InChIKeyPLGOXBATJJDWGR-UHFFFAOYSA-N
XLogP1.85
TPSA29.10 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 ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-5-thiophen-2-ylsulfinylpentan-2-amine
CID 64652385
(2S)-N-methyl-4-thiophen-2-ylbutan-2-amine
CID 42077642
3-(methylamino)-4-thiophen-2-ylsulfinylbutan-1-ol
CID 64900182
methane;4-methoxy-6-thiophen-2-ylsulfinylhexan-2-one
CID 157235836
N-propyl-3-thiophen-2-ylsulfinylpropan-1-amine
CID 64654040
N-methyl-2-thiophen-2-ylsulfinylpentan-3-amine
CID 64653004
1-thiophen-2-ylsulfinylpentan-2-amine
CID 64652798
4-methylsulfinyl-N-(1-thiophen-2-ylpropan-2-yl)butan-2-amine
CID 115893295
2,2-dimethyl-4-thiophen-2-ylsulfinylbutan-1-amine
CID 81328342
N,4-dimethyl-6-thiophen-2-ylhexan-2-amine
CID 64720964
1-(2-methoxyphenyl)-N-methyl-2-thiophen-2-ylsulfinylethanamine
CID 64651150
2-methyl-N-(4-methylsulfinylbutan-2-yl)-1-thiophen-2-ylpropan-1-amine
CID 113348811

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-thiophen-2-ylsulfinylbutan-2-amine?
The IUPAC name of N-methyl-4-thiophen-2-ylsulfinylbutan-2-amine (CID 64653423) is N-methyl-4-thiophen-2-ylsulfinylbutan-2-amine.
What is the SMILES notation for N-methyl-4-thiophen-2-ylsulfinylbutan-2-amine?
The canonical SMILES for N-methyl-4-thiophen-2-ylsulfinylbutan-2-amine is CNC(C)CCS(=O)c1cccs1.
What is the InChIKey of N-methyl-4-thiophen-2-ylsulfinylbutan-2-amine?
The InChIKey is PLGOXBATJJDWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NOS2/c1-8(10-2)5-7-13(11)9-4-3-6-12-9/h3-4,6,8,10H,5,7H2,1-2H3.
What are the key properties of N-methyl-4-thiophen-2-ylsulfinylbutan-2-amine?
N-methyl-4-thiophen-2-ylsulfinylbutan-2-amine has a molecular weight of 217.36 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-thiophen-2-ylsulfinylbutan-2-amine is sourced from PubChem (CID 64653423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).