N-(3-methylcyclohexyl)thian-4-amine

C12H23NS — CID 43428241

IUPACN-(3-methylcyclohexyl)thian-4-amine
SMILESCC1CCCC(NC2CCSCC2)C1
InChIInChI=1S/C12H23NS/c1-10-3-2-4-12(9-10)13-11-5-7-14-8-6-11/h10-13H,2-9H2,1H3
InChIKeyZZRJRKRVAHPYGR-UHFFFAOYSA-N
MW213.39 g/mol
LogP3.05
Rot. Bonds2

About N-(3-methylcyclohexyl)thian-4-amine

N-(3-methylcyclohexyl)thian-4-amine (PubChem CID 43428241) has the molecular formula C12H23NS and a molecular weight of 213.39 g/mol. Its IUPAC name is N-(3-methylcyclohexyl)thian-4-amine.

Molecular Properties

Compound NameN-(3-methylcyclohexyl)thian-4-amine
PubChem CID43428241
Molecular FormulaC12H23NS
Molecular Weight213.39 g/mol
Exact Mass213.16
IUPAC NameN-(3-methylcyclohexyl)thian-4-amine
SMILESCC1CCCC(NC2CCSCC2)C1
InChIInChI=1S/C12H23NS/c1-10-3-2-4-12(9-10)13-11-5-7-14-8-6-11/h10-13H,2-9H2,1H3
InChIKeyZZRJRKRVAHPYGR-UHFFFAOYSA-N
XLogP3.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.39
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methylcyclohexyl)thiolan-3-amine
CID 43317743
trans-(1R,3R)-3-methyl-N-[(1S,3S)-3-methylcyclohexyl]cyclohexan-1-amine
CID 99646097
N-[(1R,3R)-3-methylcyclopentyl]cyclohexanamine
CID 95376125
N,3-dimethylcyclohexan-1-amine
CID 16771259
N-(3-methylcyclobutyl)cyclopentanamine
CID 115671682
N-[(3-methylcyclohexyl)methyl]thian-4-amine
CID 115592505
N-(3-methylcyclohexyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 43317686
N-(3-ethylcyclopentyl)-3-methylcyclohexan-1-amine
CID 64501673
2,2,6,6-tetramethyl-N-(3-methylcyclohexyl)piperidin-4-amine
CID 43182325
N-cyclopentyl-4-methylcycloheptan-1-amine
CID 65081210
N,3-dimethylcyclohexan-1-amine;hydrochloride
CID 45286057
N-(3-methylcyclohexyl)-1-methylsulfonylpiperidin-4-amine
CID 43432065

Frequently Asked Questions

What is the IUPAC name of N-(3-methylcyclohexyl)thian-4-amine?
The IUPAC name of N-(3-methylcyclohexyl)thian-4-amine (CID 43428241) is N-(3-methylcyclohexyl)thian-4-amine.
What is the SMILES notation for N-(3-methylcyclohexyl)thian-4-amine?
The canonical SMILES for N-(3-methylcyclohexyl)thian-4-amine is CC1CCCC(NC2CCSCC2)C1.
What is the InChIKey of N-(3-methylcyclohexyl)thian-4-amine?
The InChIKey is ZZRJRKRVAHPYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NS/c1-10-3-2-4-12(9-10)13-11-5-7-14-8-6-11/h10-13H,2-9H2,1H3.
What are the key properties of N-(3-methylcyclohexyl)thian-4-amine?
N-(3-methylcyclohexyl)thian-4-amine has a molecular weight of 213.39 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylcyclohexyl)thian-4-amine is sourced from PubChem (CID 43428241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).