2-methylsulfanyl-N-(3-methylsulfinylbutyl)cyclohexan-1-amine

C12H25NOS2 — CID 115894507

IUPAC2-methylsulfanyl-N-(3-methylsulfinylbutyl)cyclohexan-1-amine
SMILESCSC1CCCCC1NCCC(C)S(C)=O
InChIInChI=1S/C12H25NOS2/c1-10(16(3)14)8-9-13-11-6-4-5-7-12(11)15-2/h10-13H,4-9H2,1-3H3
InChIKeyADOJZPVZPSAPPJ-UHFFFAOYSA-N
MW263.47 g/mol
LogP2.41
Rot. Bonds6

About 2-methylsulfanyl-N-(3-methylsulfinylbutyl)cyclohexan-1-amine

2-methylsulfanyl-N-(3-methylsulfinylbutyl)cyclohexan-1-amine (PubChem CID 115894507) has the molecular formula C12H25NOS2 and a molecular weight of 263.47 g/mol. Its IUPAC name is 2-methylsulfanyl-N-(3-methylsulfinylbutyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-methylsulfanyl-N-(3-methylsulfinylbutyl)cyclohexan-1-amine
PubChem CID115894507
Molecular FormulaC12H25NOS2
Molecular Weight263.47 g/mol
Exact Mass263.14
IUPAC Name2-methylsulfanyl-N-(3-methylsulfinylbutyl)cyclohexan-1-amine
SMILESCSC1CCCCC1NCCC(C)S(C)=O
InChIInChI=1S/C12H25NOS2/c1-10(16(3)14)8-9-13-11-6-4-5-7-12(11)15-2/h10-13H,4-9H2,1-3H3
InChIKeyADOJZPVZPSAPPJ-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

N-(3-methylsulfinylbutyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 113490412
N-(4-methylpentyl)-2-methylsulfanylcyclopentan-1-amine
CID 102672397
N-[2-(3-methylbutoxy)ethyl]-2-methylsulfanylcyclohexan-1-amine
CID 103779518
2-methylsulfanyl-N-propylcyclododecan-1-amine
CID 64628691
2-methylsulfanyl-N-(4-methylsulfinylbutan-2-yl)cyclohexan-1-amine
CID 115893163
2-methylsulfanyl-N-(2-methylsulfonylethyl)cyclohexan-1-amine
CID 115714483
2-(3-methylsulfinylbutylamino)cyclobutane-1-carboxylic acid
CID 103264696
(1R,2S,4R)-2,4-dimethyl-N-[(3R)-3-[(R)-methylsulfinyl]butyl]cyclohexan-1-amine
CID 99854373
N-(2-methylpropyl)-2-methylsulfanylcyclopentan-1-amine
CID 103880670
N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-methylsulfanylcyclohexan-1-amine
CID 103931438
N-(cyclopentylmethyl)-2-methylsulfanylcyclohexan-1-amine
CID 115712400
N-(3-methylbutyl)-2-[(2-methylsulfanylcyclopentyl)amino]acetamide
CID 114121621

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-(3-methylsulfinylbutyl)cyclohexan-1-amine?
The IUPAC name of 2-methylsulfanyl-N-(3-methylsulfinylbutyl)cyclohexan-1-amine (CID 115894507) is 2-methylsulfanyl-N-(3-methylsulfinylbutyl)cyclohexan-1-amine.
What is the SMILES notation for 2-methylsulfanyl-N-(3-methylsulfinylbutyl)cyclohexan-1-amine?
The canonical SMILES for 2-methylsulfanyl-N-(3-methylsulfinylbutyl)cyclohexan-1-amine is CSC1CCCCC1NCCC(C)S(C)=O.
What is the InChIKey of 2-methylsulfanyl-N-(3-methylsulfinylbutyl)cyclohexan-1-amine?
The InChIKey is ADOJZPVZPSAPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NOS2/c1-10(16(3)14)8-9-13-11-6-4-5-7-12(11)15-2/h10-13H,4-9H2,1-3H3.
What are the key properties of 2-methylsulfanyl-N-(3-methylsulfinylbutyl)cyclohexan-1-amine?
2-methylsulfanyl-N-(3-methylsulfinylbutyl)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-(3-methylsulfinylbutyl)cyclohexan-1-amine is sourced from PubChem (CID 115894507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).