N-(2-methylsulfanylcyclohexyl)-1,1-dioxothian-4-amine

C12H23NO2S2 — CID 114122303

IUPACN-(2-methylsulfanylcyclohexyl)-1,1-dioxothian-4-amine
SMILESCSC1CCCCC1NC1CCS(=O)(=O)CC1
InChIInChI=1S/C12H23NO2S2/c1-16-12-5-3-2-4-11(12)13-10-6-8-17(14,15)9-7-10/h10-13H,2-9H2,1H3
InChIKeyQINQPDVCQSBYAE-UHFFFAOYSA-N
MW277.45 g/mol
LogP1.83
Rot. Bonds3

About N-(2-methylsulfanylcyclohexyl)-1,1-dioxothian-4-amine

N-(2-methylsulfanylcyclohexyl)-1,1-dioxothian-4-amine (PubChem CID 114122303) has the molecular formula C12H23NO2S2 and a molecular weight of 277.45 g/mol. Its IUPAC name is N-(2-methylsulfanylcyclohexyl)-1,1-dioxothian-4-amine.

Molecular Properties

Compound NameN-(2-methylsulfanylcyclohexyl)-1,1-dioxothian-4-amine
PubChem CID114122303
Molecular FormulaC12H23NO2S2
Molecular Weight277.45 g/mol
Exact Mass277.12
IUPAC NameN-(2-methylsulfanylcyclohexyl)-1,1-dioxothian-4-amine
SMILESCSC1CCCCC1NC1CCS(=O)(=O)CC1
InChIInChI=1S/C12H23NO2S2/c1-16-12-5-3-2-4-11(12)13-10-6-8-17(14,15)9-7-10/h10-13H,2-9H2,1H3
InChIKeyQINQPDVCQSBYAE-UHFFFAOYSA-N
XLogP1.83
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N-(2-methylsulfanylcyclohexyl)azepan-4-amine
CID 103859823
N-cyclopent-3-en-1-yl-2-methylsulfanylcyclohexan-1-amine
CID 127015746
N-cyclobutyl-2-methylsulfanylcyclobutan-1-amine
CID 130622334
N-(2-methylsulfanylcyclohexyl)oxepan-4-amine
CID 103894919
N-cyclododecyl-1,1-dioxothian-4-amine
CID 43614936
1-ethyl-N-(2-methylsulfanylcyclohexyl)piperidin-4-amine
CID 113259889
N-(1,1-dioxothian-4-yl)-2-methylthian-3-amine
CID 79957007
4-ethyl-N-(2-methylsulfanylcyclopentyl)cyclohexan-1-amine
CID 103786599
N-(2-methylcyclohexyl)-1,1-dioxothiolan-3-amine
CID 16784113
[2-[(1,1-dioxothian-4-yl)amino]cyclopentyl]methanol
CID 106359448
N-(2-methylsulfanylcyclohexyl)-1-oxaspiro[5.5]undecan-4-amine
CID 103791802
3,3-dimethyl-N-(2-methylsulfanylcyclopentyl)cyclopentan-1-amine
CID 104531263

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanylcyclohexyl)-1,1-dioxothian-4-amine?
The IUPAC name of N-(2-methylsulfanylcyclohexyl)-1,1-dioxothian-4-amine (CID 114122303) is N-(2-methylsulfanylcyclohexyl)-1,1-dioxothian-4-amine.
What is the SMILES notation for N-(2-methylsulfanylcyclohexyl)-1,1-dioxothian-4-amine?
The canonical SMILES for N-(2-methylsulfanylcyclohexyl)-1,1-dioxothian-4-amine is CSC1CCCCC1NC1CCS(=O)(=O)CC1.
What is the InChIKey of N-(2-methylsulfanylcyclohexyl)-1,1-dioxothian-4-amine?
The InChIKey is QINQPDVCQSBYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2S2/c1-16-12-5-3-2-4-11(12)13-10-6-8-17(14,15)9-7-10/h10-13H,2-9H2,1H3.
What are the key properties of N-(2-methylsulfanylcyclohexyl)-1,1-dioxothian-4-amine?
N-(2-methylsulfanylcyclohexyl)-1,1-dioxothian-4-amine has a molecular weight of 277.45 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanylcyclohexyl)-1,1-dioxothian-4-amine is sourced from PubChem (CID 114122303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).