N-[(2-methylcyclohexyl)methyl]thietan-3-amine

C11H21NS — CID 130650863

IUPACN-[(2-methylcyclohexyl)methyl]thietan-3-amine
SMILESCC1CCCCC1CNC1CSC1
InChIInChI=1S/C11H21NS/c1-9-4-2-3-5-10(9)6-12-11-7-13-8-11/h9-12H,2-8H2,1H3
InChIKeyCCRHQRZHIULEOU-UHFFFAOYSA-N
MW199.36 g/mol
LogP2.52
Rot. Bonds3

About N-[(2-methylcyclohexyl)methyl]thietan-3-amine

N-[(2-methylcyclohexyl)methyl]thietan-3-amine (PubChem CID 130650863) has the molecular formula C11H21NS and a molecular weight of 199.36 g/mol. Its IUPAC name is N-[(2-methylcyclohexyl)methyl]thietan-3-amine.

Molecular Properties

Compound NameN-[(2-methylcyclohexyl)methyl]thietan-3-amine
PubChem CID130650863
Molecular FormulaC11H21NS
Molecular Weight199.36 g/mol
Exact Mass199.14
IUPAC NameN-[(2-methylcyclohexyl)methyl]thietan-3-amine
SMILESCC1CCCCC1CNC1CSC1
InChIInChI=1S/C11H21NS/c1-9-4-2-3-5-10(9)6-12-11-7-13-8-11/h9-12H,2-8H2,1H3
InChIKeyCCRHQRZHIULEOU-UHFFFAOYSA-N
XLogP2.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.36
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-methylcyclopentyl)methyl]cyclooctanamine
CID 107417462
2-[(thietan-3-ylamino)methyl]cyclopentan-1-ol
CID 130951867
N-[(2-methylcyclohexyl)methyl]-3-propan-2-ylcyclobutan-1-amine
CID 103561813
2-methyl-N-[(2-methylcyclopentyl)methyl]cyclohexan-1-amine
CID 107417002
N-[(2-methylcyclohexyl)methyl]-3-propan-2-ylcyclohexan-1-amine
CID 107448430
3-N-[(2-methylcyclopentyl)methyl]cyclopentane-1,3-diamine
CID 107417313
3-cyclopropyl-N-[(2-methylcyclopentyl)methyl]cyclohexan-1-amine
CID 107417299
N-[(2-methylcyclopentyl)methyl]-4-propylcyclohexan-1-amine
CID 107417481
2-cyclohexyl-N-[(2-methylcyclopentyl)methyl]cyclohexan-1-amine
CID 107416929
1,5-dimethyl-N-[(2-methylcyclopentyl)methyl]pyrrolidin-3-amine
CID 107417196
2,2-dimethyl-N-[(2-methylcyclopentyl)methyl]oxan-4-amine
CID 107417295
1-cyclopentyl-N-[(2-methylcyclopentyl)methyl]ethanamine
CID 107416947

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylcyclohexyl)methyl]thietan-3-amine?
The IUPAC name of N-[(2-methylcyclohexyl)methyl]thietan-3-amine (CID 130650863) is N-[(2-methylcyclohexyl)methyl]thietan-3-amine.
What is the SMILES notation for N-[(2-methylcyclohexyl)methyl]thietan-3-amine?
The canonical SMILES for N-[(2-methylcyclohexyl)methyl]thietan-3-amine is CC1CCCCC1CNC1CSC1.
What is the InChIKey of N-[(2-methylcyclohexyl)methyl]thietan-3-amine?
The InChIKey is CCRHQRZHIULEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NS/c1-9-4-2-3-5-10(9)6-12-11-7-13-8-11/h9-12H,2-8H2,1H3.
What are the key properties of N-[(2-methylcyclohexyl)methyl]thietan-3-amine?
N-[(2-methylcyclohexyl)methyl]thietan-3-amine has a molecular weight of 199.36 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylcyclohexyl)methyl]thietan-3-amine is sourced from PubChem (CID 130650863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).