N-(3-methylcyclohexyl)thiolan-3-amine

C11H21NS — CID 43317743

IUPACN-(3-methylcyclohexyl)thiolan-3-amine
SMILESCC1CCCC(NC2CCSC2)C1
InChIInChI=1S/C11H21NS/c1-9-3-2-4-10(7-9)12-11-5-6-13-8-11/h9-12H,2-8H2,1H3
InChIKeyLPRWTYFKKQQABM-UHFFFAOYSA-N
MW199.36 g/mol
LogP2.66
Rot. Bonds2

About N-(3-methylcyclohexyl)thiolan-3-amine

N-(3-methylcyclohexyl)thiolan-3-amine (PubChem CID 43317743) has the molecular formula C11H21NS and a molecular weight of 199.36 g/mol. Its IUPAC name is N-(3-methylcyclohexyl)thiolan-3-amine.

Molecular Properties

Compound NameN-(3-methylcyclohexyl)thiolan-3-amine
PubChem CID43317743
Molecular FormulaC11H21NS
Molecular Weight199.36 g/mol
Exact Mass199.14
IUPAC NameN-(3-methylcyclohexyl)thiolan-3-amine
SMILESCC1CCCC(NC2CCSC2)C1
InChIInChI=1S/C11H21NS/c1-9-3-2-4-10(7-9)12-11-5-6-13-8-11/h9-12H,2-8H2,1H3
InChIKeyLPRWTYFKKQQABM-UHFFFAOYSA-N
XLogP2.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.36
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylcyclohexyl)thiolan-3-amine?
The IUPAC name of N-(3-methylcyclohexyl)thiolan-3-amine (CID 43317743) is N-(3-methylcyclohexyl)thiolan-3-amine.
What is the SMILES notation for N-(3-methylcyclohexyl)thiolan-3-amine?
The canonical SMILES for N-(3-methylcyclohexyl)thiolan-3-amine is CC1CCCC(NC2CCSC2)C1.
What is the InChIKey of N-(3-methylcyclohexyl)thiolan-3-amine?
The InChIKey is LPRWTYFKKQQABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NS/c1-9-3-2-4-10(7-9)12-11-5-6-13-8-11/h9-12H,2-8H2,1H3.
What are the key properties of N-(3-methylcyclohexyl)thiolan-3-amine?
N-(3-methylcyclohexyl)thiolan-3-amine has a molecular weight of 199.36 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylcyclohexyl)thiolan-3-amine is sourced from PubChem (CID 43317743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).