2-methylsulfanyl-N-(4-methylsulfinylbutan-2-yl)cyclohexan-1-amine

C12H25NOS2 — CID 115893163

IUPAC2-methylsulfanyl-N-(4-methylsulfinylbutan-2-yl)cyclohexan-1-amine
SMILESCSC1CCCCC1NC(C)CCS(C)=O
InChIInChI=1S/C12H25NOS2/c1-10(8-9-16(3)14)13-11-6-4-5-7-12(11)15-2/h10-13H,4-9H2,1-3H3
InChIKeyACRDJFUBFLBDQV-UHFFFAOYSA-N
MW263.47 g/mol
LogP2.41
Rot. Bonds6

About 2-methylsulfanyl-N-(4-methylsulfinylbutan-2-yl)cyclohexan-1-amine

2-methylsulfanyl-N-(4-methylsulfinylbutan-2-yl)cyclohexan-1-amine (PubChem CID 115893163) has the molecular formula C12H25NOS2 and a molecular weight of 263.47 g/mol. Its IUPAC name is 2-methylsulfanyl-N-(4-methylsulfinylbutan-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-methylsulfanyl-N-(4-methylsulfinylbutan-2-yl)cyclohexan-1-amine
PubChem CID115893163
Molecular FormulaC12H25NOS2
Molecular Weight263.47 g/mol
Exact Mass263.14
IUPAC Name2-methylsulfanyl-N-(4-methylsulfinylbutan-2-yl)cyclohexan-1-amine
SMILESCSC1CCCCC1NC(C)CCS(C)=O
InChIInChI=1S/C12H25NOS2/c1-10(8-9-16(3)14)13-11-6-4-5-7-12(11)15-2/h10-13H,4-9H2,1-3H3
InChIKeyACRDJFUBFLBDQV-UHFFFAOYSA-N
XLogP2.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.47
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-N-(4-methylsulfinylbutan-2-yl)cyclohexan-1-amine
CID 115997493
N-hexan-2-yl-2-methylsulfanylcyclopentan-1-amine
CID 103786645
2-methylsulfanyl-N-(3-methylsulfinylbutyl)cyclohexan-1-amine
CID 115894507
2-(4-methylsulfinylbutan-2-ylamino)cyclobutane-1-carboxylic acid
CID 103267849
2-methylsulfanyl-N-(4-phenylbutan-2-yl)cyclopentan-1-amine
CID 113250285
N-(4-methoxy-4-methylpentan-2-yl)-2-methylsulfanylcyclopentan-1-amine
CID 103786640
N-(2-methylpropyl)-2-methylsulfanylcyclopentan-1-amine
CID 103880670
N-heptan-4-yl-2-methylsulfanylcyclopentan-1-amine
CID 103729880
N,N-diethyl-2-[(2-methylsulfanylcyclohexyl)amino]propanamide
CID 113260733
(2R)-N,N-dimethyl-2-[(2-methylsulfanylcyclohexyl)amino]propanamide
CID 103902988
4-tert-butyl-N-(4-methylsulfinylbutan-2-yl)cycloheptan-1-amine
CID 115750469
1-ethyl-N-(4-methylsulfinylbutan-2-yl)piperidin-4-amine
CID 115901446

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-(4-methylsulfinylbutan-2-yl)cyclohexan-1-amine?
The IUPAC name of 2-methylsulfanyl-N-(4-methylsulfinylbutan-2-yl)cyclohexan-1-amine (CID 115893163) is 2-methylsulfanyl-N-(4-methylsulfinylbutan-2-yl)cyclohexan-1-amine.
What is the SMILES notation for 2-methylsulfanyl-N-(4-methylsulfinylbutan-2-yl)cyclohexan-1-amine?
The canonical SMILES for 2-methylsulfanyl-N-(4-methylsulfinylbutan-2-yl)cyclohexan-1-amine is CSC1CCCCC1NC(C)CCS(C)=O.
What is the InChIKey of 2-methylsulfanyl-N-(4-methylsulfinylbutan-2-yl)cyclohexan-1-amine?
The InChIKey is ACRDJFUBFLBDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NOS2/c1-10(8-9-16(3)14)13-11-6-4-5-7-12(11)15-2/h10-13H,4-9H2,1-3H3.
What are the key properties of 2-methylsulfanyl-N-(4-methylsulfinylbutan-2-yl)cyclohexan-1-amine?
2-methylsulfanyl-N-(4-methylsulfinylbutan-2-yl)cyclohexan-1-amine has a molecular weight of 263.47 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-(4-methylsulfinylbutan-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 115893163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).