N-[(1R)-1-cyclohexylethyl]-5-methylthiolan-3-amine

C13H25NS — CID 81384917

IUPACN-[(1R)-1-cyclohexylethyl]-5-methylthiolan-3-amine
SMILESCC1CC(N[C@H](C)C2CCCCC2)CS1
InChIInChI=1S/C13H25NS/c1-10-8-13(9-15-10)14-11(2)12-6-4-3-5-7-12/h10-14H,3-9H2,1-2H3/t10?,11-,13?/m1/s1
InChIKeyMJOUDHVSWNLXNF-QWKFWESOSA-N
MW227.42 g/mol
LogP3.44
Rot. Bonds3

About N-[(1R)-1-cyclohexylethyl]-5-methylthiolan-3-amine

N-[(1R)-1-cyclohexylethyl]-5-methylthiolan-3-amine (PubChem CID 81384917) has the molecular formula C13H25NS and a molecular weight of 227.42 g/mol. Its IUPAC name is N-[(1R)-1-cyclohexylethyl]-5-methylthiolan-3-amine.

Molecular Properties

Compound NameN-[(1R)-1-cyclohexylethyl]-5-methylthiolan-3-amine
PubChem CID81384917
Molecular FormulaC13H25NS
Molecular Weight227.42 g/mol
Exact Mass227.17
IUPAC NameN-[(1R)-1-cyclohexylethyl]-5-methylthiolan-3-amine
SMILESCC1CC(N[C@H](C)C2CCCCC2)CS1
InChIInChI=1S/C13H25NS/c1-10-8-13(9-15-10)14-11(2)12-6-4-3-5-7-12/h10-14H,3-9H2,1-2H3/t10?,11-,13?/m1/s1
InChIKeyMJOUDHVSWNLXNF-QWKFWESOSA-N
XLogP3.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.42
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-cyclohexylethyl)-3-methylcyclobutan-1-amine
CID 115677489
N-[(1S)-1-cycloheptylethyl]cycloheptanamine
CID 81389840
N-cycloheptyl-5-methylthiolan-3-amine
CID 79942156
N-(1-cyclopropylethyl)cyclohexanamine
CID 43177177
N-[(1S)-1-cyclohexylethyl]-3-methylcyclopentan-1-amine
CID 81387418
N-(1-cyclohexylethyl)-3-methylcyclohexan-1-amine
CID 43775460
N-[cyclopentyl(thiophen-2-yl)methyl]-5-methylthiolan-3-amine
CID 79942468
N-[(1R)-1-cycloheptylethyl]-4-propan-2-ylcyclohexan-1-amine
CID 81393268
N-(1-cyclohexylethyl)-4-propan-2-ylcyclohexan-1-amine
CID 63478862
N-[(1R)-1-cyclopentylethyl]-3,4-dimethylcyclohexan-1-amine
CID 81395850
N-[(1R)-1-cyclopentylethyl]thiolan-3-amine
CID 81394776
5-methyl-N-(3-methylpentan-2-yl)thiolan-3-amine
CID 79950674

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyclohexylethyl]-5-methylthiolan-3-amine?
The IUPAC name of N-[(1R)-1-cyclohexylethyl]-5-methylthiolan-3-amine (CID 81384917) is N-[(1R)-1-cyclohexylethyl]-5-methylthiolan-3-amine.
What is the SMILES notation for N-[(1R)-1-cyclohexylethyl]-5-methylthiolan-3-amine?
The canonical SMILES for N-[(1R)-1-cyclohexylethyl]-5-methylthiolan-3-amine is CC1CC(N[C@H](C)C2CCCCC2)CS1.
What is the InChIKey of N-[(1R)-1-cyclohexylethyl]-5-methylthiolan-3-amine?
The InChIKey is MJOUDHVSWNLXNF-QWKFWESOSA-N. The full InChI is InChI=1S/C13H25NS/c1-10-8-13(9-15-10)14-11(2)12-6-4-3-5-7-12/h10-14H,3-9H2,1-2H3/t10?,11-,13?/m1/s1.
What are the key properties of N-[(1R)-1-cyclohexylethyl]-5-methylthiolan-3-amine?
N-[(1R)-1-cyclohexylethyl]-5-methylthiolan-3-amine has a molecular weight of 227.42 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyclohexylethyl]-5-methylthiolan-3-amine is sourced from PubChem (CID 81384917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).