4-(aminomethyl)-N-cyclohexyl-N-methyl-1,1-dioxothian-4-amine

C13H26N2O2S — CID 54982945

IUPAC4-(aminomethyl)-N-cyclohexyl-N-methyl-1,1-dioxothian-4-amine
SMILESCN(C1CCCCC1)C1(CN)CCS(=O)(=O)CC1
InChIInChI=1S/C13H26N2O2S/c1-15(12-5-3-2-4-6-12)13(11-14)7-9-18(16,17)10-8-13/h12H,2-11,14H2,1H3
InChIKeyLDDBPJJDXNHCIG-UHFFFAOYSA-N
MW274.43 g/mol
LogP1.16
Rot. Bonds3

About 4-(aminomethyl)-N-cyclohexyl-N-methyl-1,1-dioxothian-4-amine

4-(aminomethyl)-N-cyclohexyl-N-methyl-1,1-dioxothian-4-amine (PubChem CID 54982945) has the molecular formula C13H26N2O2S and a molecular weight of 274.43 g/mol. Its IUPAC name is 4-(aminomethyl)-N-cyclohexyl-N-methyl-1,1-dioxothian-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-cyclohexyl-N-methyl-1,1-dioxothian-4-amine
PubChem CID54982945
Molecular FormulaC13H26N2O2S
Molecular Weight274.43 g/mol
Exact Mass274.17
IUPAC Name4-(aminomethyl)-N-cyclohexyl-N-methyl-1,1-dioxothian-4-amine
SMILESCN(C1CCCCC1)C1(CN)CCS(=O)(=O)CC1
InChIInChI=1S/C13H26N2O2S/c1-15(12-5-3-2-4-6-12)13(11-14)7-9-18(16,17)10-8-13/h12H,2-11,14H2,1H3
InChIKeyLDDBPJJDXNHCIG-UHFFFAOYSA-N
XLogP1.16
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(aminomethyl)cyclopropyl]-N-methylcyclohexanamine
CID 106660997
1-(aminomethyl)-N-cyclohexyl-N,4-dimethylcyclohexan-1-amine
CID 43409627
3-(aminomethyl)-N-(4-ethylcyclohexyl)-N-methyl-1,1-dioxothiolan-3-amine
CID 63162872
N-[1-(aminomethyl)cyclohexyl]-N-methyloxan-4-amine
CID 43610982
3-(aminomethyl)-N-cycloheptyl-N,1-dimethylpyrrolidin-3-amine
CID 62975279
N-[1-(aminomethyl)-3-methylcyclopentyl]-N-methylcyclohexanamine
CID 64501146
N-[1-(aminomethyl)cyclobutyl]-N,1-dimethylpiperidin-4-amine
CID 79520724
3-(aminomethyl)-N-cyclohexyl-N-methylthian-3-amine
CID 62871304
3-(aminomethyl)-N-cycloheptyl-N,8-dimethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 43613913
N-[3-(aminomethyl)-1,1-dioxothiolan-3-yl]-N-methyloxolan-3-amine
CID 82734241
3-(aminomethyl)-N-(cyclobutylmethyl)-N-methyl-1,1-dioxothiolan-3-amine
CID 63162457
N-[1-(aminomethyl)-3-cyclopropylcyclohexyl]-N-methylcycloheptanamine
CID 64622550

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-cyclohexyl-N-methyl-1,1-dioxothian-4-amine?
The IUPAC name of 4-(aminomethyl)-N-cyclohexyl-N-methyl-1,1-dioxothian-4-amine (CID 54982945) is 4-(aminomethyl)-N-cyclohexyl-N-methyl-1,1-dioxothian-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-cyclohexyl-N-methyl-1,1-dioxothian-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-cyclohexyl-N-methyl-1,1-dioxothian-4-amine is CN(C1CCCCC1)C1(CN)CCS(=O)(=O)CC1.
What is the InChIKey of 4-(aminomethyl)-N-cyclohexyl-N-methyl-1,1-dioxothian-4-amine?
The InChIKey is LDDBPJJDXNHCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2S/c1-15(12-5-3-2-4-6-12)13(11-14)7-9-18(16,17)10-8-13/h12H,2-11,14H2,1H3.
What are the key properties of 4-(aminomethyl)-N-cyclohexyl-N-methyl-1,1-dioxothian-4-amine?
4-(aminomethyl)-N-cyclohexyl-N-methyl-1,1-dioxothian-4-amine has a molecular weight of 274.43 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-cyclohexyl-N-methyl-1,1-dioxothian-4-amine is sourced from PubChem (CID 54982945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).