2-butan-2-ylsulfanyl-4-methylcyclohexan-1-amine

C11H23NS — CID 64614662

IUPAC2-butan-2-ylsulfanyl-4-methylcyclohexan-1-amine
SMILESCCC(C)SC1CC(C)CCC1N
InChIInChI=1S/C11H23NS/c1-4-9(3)13-11-7-8(2)5-6-10(11)12/h8-11H,4-7,12H2,1-3H3
InChIKeyQLXHGYWLUHZHEG-UHFFFAOYSA-N
MW201.38 g/mol
LogP3.03
Rot. Bonds3

About 2-butan-2-ylsulfanyl-4-methylcyclohexan-1-amine

2-butan-2-ylsulfanyl-4-methylcyclohexan-1-amine (PubChem CID 64614662) has the molecular formula C11H23NS and a molecular weight of 201.38 g/mol. Its IUPAC name is 2-butan-2-ylsulfanyl-4-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-butan-2-ylsulfanyl-4-methylcyclohexan-1-amine
PubChem CID64614662
Molecular FormulaC11H23NS
Molecular Weight201.38 g/mol
Exact Mass201.16
IUPAC Name2-butan-2-ylsulfanyl-4-methylcyclohexan-1-amine
SMILESCCC(C)SC1CC(C)CCC1N
InChIInChI=1S/C11H23NS/c1-4-9(3)13-11-7-8(2)5-6-10(11)12/h8-11H,4-7,12H2,1-3H3
InChIKeyQLXHGYWLUHZHEG-UHFFFAOYSA-N
XLogP3.03
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.38
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Fluoro-1-(thian-3-yl)propan-2-amine
CID 105437217
3-(2-Fluoropropyl)thian-4-amine
CID 115015002
(2S)-1-cyclohexyl-3-ethylsulfanylpropan-2-amine
CID 10750601
2-Methyl-2-methylsulfanylcyclohexan-1-amine
CID 12770134
1-Cyclohexyl-3-ethylsulfanylpropan-2-amine
CID 18361101
(2S)-1-cyclohexyl-3-ethylsulfanylpropan-2-amine;hydrochloride
CID 20699042
4-Cyclohexyl-1-ethylsulfanylbutan-2-amine
CID 53894771
[4-(Ethylsulfanylmethyl)cyclohexyl]methanamine
CID 54471482
3-Cyclohexyl-1-ethylsulfanylpropan-1-amine
CID 57217227
6-Ethyl-5-methylthian-3-amine
CID 58388285
1-Cyclohexyl-2-methylsulfanylethanamine
CID 62691518
4-(4-Amino-3-methylcyclohexyl)sulfanyl-2-methylcyclohexan-1-amine
CID 67440325

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-ylsulfanyl-4-methylcyclohexan-1-amine?
The IUPAC name of 2-butan-2-ylsulfanyl-4-methylcyclohexan-1-amine (CID 64614662) is 2-butan-2-ylsulfanyl-4-methylcyclohexan-1-amine.
What is the SMILES notation for 2-butan-2-ylsulfanyl-4-methylcyclohexan-1-amine?
The canonical SMILES for 2-butan-2-ylsulfanyl-4-methylcyclohexan-1-amine is CCC(C)SC1CC(C)CCC1N.
What is the InChIKey of 2-butan-2-ylsulfanyl-4-methylcyclohexan-1-amine?
The InChIKey is QLXHGYWLUHZHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NS/c1-4-9(3)13-11-7-8(2)5-6-10(11)12/h8-11H,4-7,12H2,1-3H3.
What are the key properties of 2-butan-2-ylsulfanyl-4-methylcyclohexan-1-amine?
2-butan-2-ylsulfanyl-4-methylcyclohexan-1-amine has a molecular weight of 201.38 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-ylsulfanyl-4-methylcyclohexan-1-amine is sourced from PubChem (CID 64614662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).