3-(3-methylcyclohexyl)sulfinylbutan-2-amine

C11H23NOS — CID 64657610

IUPAC3-(3-methylcyclohexyl)sulfinylbutan-2-amine
SMILESCC1CCCC(S(=O)C(C)C(C)N)C1
InChIInChI=1S/C11H23NOS/c1-8-5-4-6-11(7-8)14(13)10(3)9(2)12/h8-11H,4-7,12H2,1-3H3
InChIKeyGTAAITNSROVSJG-UHFFFAOYSA-N
MW217.38 g/mol
LogP2.05
Rot. Bonds3

About 3-(3-methylcyclohexyl)sulfinylbutan-2-amine

3-(3-methylcyclohexyl)sulfinylbutan-2-amine (PubChem CID 64657610) has the molecular formula C11H23NOS and a molecular weight of 217.38 g/mol. Its IUPAC name is 3-(3-methylcyclohexyl)sulfinylbutan-2-amine.

Molecular Properties

Compound Name3-(3-methylcyclohexyl)sulfinylbutan-2-amine
PubChem CID64657610
Molecular FormulaC11H23NOS
Molecular Weight217.38 g/mol
Exact Mass217.15
IUPAC Name3-(3-methylcyclohexyl)sulfinylbutan-2-amine
SMILESCC1CCCC(S(=O)C(C)C(C)N)C1
InChIInChI=1S/C11H23NOS/c1-8-5-4-6-11(7-8)14(13)10(3)9(2)12/h8-11H,4-7,12H2,1-3H3
InChIKeyGTAAITNSROVSJG-UHFFFAOYSA-N
XLogP2.05
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.38
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopentylsulfinylbutan-2-amine
CID 64655431
4-(3-methylcyclohexyl)sulfinylcyclohexan-1-amine
CID 62808351
N-(3-aminophenyl)-2-(3-methylcyclohexyl)sulfinylpropanamide
CID 62722453
2-(3-methylcyclohexyl)sulfinylcycloheptan-1-amine
CID 64658590
(1S)-1-[(1S,3S)-3-methylcyclohexyl]ethanamine
CID 124508943
1-(3-methylcyclohexyl)ethanamine
CID 54595475
1-(3-chlorophenyl)-2-(3-methylcyclohexyl)sulfinylpropan-1-one
CID 64635686
N-methyl-3-(3-methylcyclohexyl)sulfinylcyclopentan-1-amine
CID 64724266
2-cyclohexylsulfinyl-1-phenylpropan-1-amine
CID 64654149
(1R)-1,3-dimethylcyclohexane
CID 12594306
2-(3-methylcyclohexyl)sulfinyl-1-(2-methylphenyl)ethanamine
CID 64658201
4-(3-methylcyclohexyl)sulfinyl-N-propylbutan-2-amine
CID 64657617

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylcyclohexyl)sulfinylbutan-2-amine?
The IUPAC name of 3-(3-methylcyclohexyl)sulfinylbutan-2-amine (CID 64657610) is 3-(3-methylcyclohexyl)sulfinylbutan-2-amine.
What is the SMILES notation for 3-(3-methylcyclohexyl)sulfinylbutan-2-amine?
The canonical SMILES for 3-(3-methylcyclohexyl)sulfinylbutan-2-amine is CC1CCCC(S(=O)C(C)C(C)N)C1.
What is the InChIKey of 3-(3-methylcyclohexyl)sulfinylbutan-2-amine?
The InChIKey is GTAAITNSROVSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NOS/c1-8-5-4-6-11(7-8)14(13)10(3)9(2)12/h8-11H,4-7,12H2,1-3H3.
What are the key properties of 3-(3-methylcyclohexyl)sulfinylbutan-2-amine?
3-(3-methylcyclohexyl)sulfinylbutan-2-amine has a molecular weight of 217.38 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylcyclohexyl)sulfinylbutan-2-amine is sourced from PubChem (CID 64657610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).