N-[(1,4-dimethylcyclohexyl)methyl]thietan-3-amine

C12H23NS — CID 130640078

IUPACN-[(1,4-dimethylcyclohexyl)methyl]thietan-3-amine
SMILESCC1CCC(C)(CNC2CSC2)CC1
InChIInChI=1S/C12H23NS/c1-10-3-5-12(2,6-4-10)9-13-11-7-14-8-11/h10-11,13H,3-9H2,1-2H3
InChIKeyOGKLSZAPMXSMOW-UHFFFAOYSA-N
MW213.39 g/mol
LogP2.91
Rot. Bonds3

About N-[(1,4-dimethylcyclohexyl)methyl]thietan-3-amine

N-[(1,4-dimethylcyclohexyl)methyl]thietan-3-amine (PubChem CID 130640078) has the molecular formula C12H23NS and a molecular weight of 213.39 g/mol. Its IUPAC name is N-[(1,4-dimethylcyclohexyl)methyl]thietan-3-amine.

Molecular Properties

Compound NameN-[(1,4-dimethylcyclohexyl)methyl]thietan-3-amine
PubChem CID130640078
Molecular FormulaC12H23NS
Molecular Weight213.39 g/mol
Exact Mass213.16
IUPAC NameN-[(1,4-dimethylcyclohexyl)methyl]thietan-3-amine
SMILESCC1CCC(C)(CNC2CSC2)CC1
InChIInChI=1S/C12H23NS/c1-10-3-5-12(2,6-4-10)9-13-11-7-14-8-11/h10-11,13H,3-9H2,1-2H3
InChIKeyOGKLSZAPMXSMOW-UHFFFAOYSA-N
XLogP2.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.39
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-1,4-dithiepan-6-amine
CID 56718142
4-[(cyclopropylamino)methyl]-4-methylcyclohexan-1-ol
CID 130531645
3-methyl-N-[(1-methylcyclopropyl)methyl]cyclohexan-1-amine
CID 103724489
N-[(1-methylcyclobutyl)methyl]thian-4-amine;hydrochloride
CID 115680419
N-[(1-propylcyclopropyl)methyl]thietan-3-amine
CID 155893734
4-methyl-1-[(thian-4-ylamino)methyl]cyclohexan-1-ol
CID 65117892
N-[(1-methylsulfanylcyclobutyl)methyl]thietan-3-amine
CID 170900002
1-methyl-3-[(thietan-3-ylamino)methyl]pyrrolidin-3-ol
CID 126990341
4-methyl-N-[(3-methyloxolan-3-yl)methyl]thiolan-3-amine
CID 130863677
4-chloro-N-[(1-methylcyclobutyl)methyl]cyclohexan-1-amine
CID 130601573
1-[(cyclobutylamino)methyl]-4-methylcyclohexan-1-ol
CID 65115377
1-[[(2,2-dimethyl-1,3-dioxan-5-yl)amino]methyl]-4-methylcyclohexan-1-ol
CID 106658812

Frequently Asked Questions

What is the IUPAC name of N-[(1,4-dimethylcyclohexyl)methyl]thietan-3-amine?
The IUPAC name of N-[(1,4-dimethylcyclohexyl)methyl]thietan-3-amine (CID 130640078) is N-[(1,4-dimethylcyclohexyl)methyl]thietan-3-amine.
What is the SMILES notation for N-[(1,4-dimethylcyclohexyl)methyl]thietan-3-amine?
The canonical SMILES for N-[(1,4-dimethylcyclohexyl)methyl]thietan-3-amine is CC1CCC(C)(CNC2CSC2)CC1.
What is the InChIKey of N-[(1,4-dimethylcyclohexyl)methyl]thietan-3-amine?
The InChIKey is OGKLSZAPMXSMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NS/c1-10-3-5-12(2,6-4-10)9-13-11-7-14-8-11/h10-11,13H,3-9H2,1-2H3.
What are the key properties of N-[(1,4-dimethylcyclohexyl)methyl]thietan-3-amine?
N-[(1,4-dimethylcyclohexyl)methyl]thietan-3-amine has a molecular weight of 213.39 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,4-dimethylcyclohexyl)methyl]thietan-3-amine is sourced from PubChem (CID 130640078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).