N-[1-(aminomethyl)-3-(2-methylpropyl)cyclohexyl]-N-methyl-1,1-dioxothiolan-3-amine

C16H32N2O2S — CID 107428952

IUPACN-[1-(aminomethyl)-3-(2-methylpropyl)cyclohexyl]-N-methyl-1,1-dioxothiolan-3-amine
SMILESCC(C)CC1CCCC(CN)(N(C)C2CCS(=O)(=O)C2)C1
InChIInChI=1S/C16H32N2O2S/c1-13(2)9-14-5-4-7-16(10-14,12-17)18(3)15-6-8-21(19,20)11-15/h13-15H,4-12,17H2,1-3H3
InChIKeyZCPSRWDFRSDZLR-UHFFFAOYSA-N
MW316.51 g/mol
LogP2.04
Rot. Bonds5

About N-[1-(aminomethyl)-3-(2-methylpropyl)cyclohexyl]-N-methyl-1,1-dioxothiolan-3-amine

N-[1-(aminomethyl)-3-(2-methylpropyl)cyclohexyl]-N-methyl-1,1-dioxothiolan-3-amine (PubChem CID 107428952) has the molecular formula C16H32N2O2S and a molecular weight of 316.51 g/mol. Its IUPAC name is N-[1-(aminomethyl)-3-(2-methylpropyl)cyclohexyl]-N-methyl-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound NameN-[1-(aminomethyl)-3-(2-methylpropyl)cyclohexyl]-N-methyl-1,1-dioxothiolan-3-amine
PubChem CID107428952
Molecular FormulaC16H32N2O2S
Molecular Weight316.51 g/mol
Exact Mass316.22
IUPAC NameN-[1-(aminomethyl)-3-(2-methylpropyl)cyclohexyl]-N-methyl-1,1-dioxothiolan-3-amine
SMILESCC(C)CC1CCCC(CN)(N(C)C2CCS(=O)(=O)C2)C1
InChIInChI=1S/C16H32N2O2S/c1-13(2)9-14-5-4-7-16(10-14,12-17)18(3)15-6-8-21(19,20)11-15/h13-15H,4-12,17H2,1-3H3
InChIKeyZCPSRWDFRSDZLR-UHFFFAOYSA-N
XLogP2.04
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.51
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(aminomethyl)-3-ethylcyclopentyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 64501186
N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 43648656
4-(aminomethyl)-N-(1,1-dioxothiolan-3-yl)-1-ethyl-N-methylazepan-4-amine
CID 65078367
3-(aminomethyl)-N-(1,1-dioxothiolan-3-yl)-N-methyloxolan-3-amine
CID 63335117
1-(aminomethyl)-N-methyl-3-(2-methylpropyl)-N-(2-methylsulfonylethyl)cyclohexan-1-amine
CID 107429103
1-(aminomethyl)-N-ethyl-N,3-bis(2-methylpropyl)cyclohexan-1-amine
CID 107428924
1-(aminomethyl)-N-(1-methoxypropan-2-yl)-N-methyl-3-(2-methylpropyl)cyclohexan-1-amine
CID 107428982
1-(aminomethyl)-N-methyl-3-(2-methylpropyl)-N-(4-methylsulfanylbutan-2-yl)cyclohexan-1-amine
CID 107429152
1-(aminomethyl)-N-(2-ethoxyethyl)-N-methyl-3-(2-methylpropyl)cyclohexan-1-amine
CID 107429111
N-[1-(aminomethyl)-2-methylcyclohexyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 43648675
3-(aminomethyl)-N-(1,1-dioxothiolan-3-yl)-N,5,5-trimethylthian-3-amine
CID 79958421
N-[1-(aminomethyl)-2,4-dimethylcyclohexyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 64762337

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-3-(2-methylpropyl)cyclohexyl]-N-methyl-1,1-dioxothiolan-3-amine?
The IUPAC name of N-[1-(aminomethyl)-3-(2-methylpropyl)cyclohexyl]-N-methyl-1,1-dioxothiolan-3-amine (CID 107428952) is N-[1-(aminomethyl)-3-(2-methylpropyl)cyclohexyl]-N-methyl-1,1-dioxothiolan-3-amine.
What is the SMILES notation for N-[1-(aminomethyl)-3-(2-methylpropyl)cyclohexyl]-N-methyl-1,1-dioxothiolan-3-amine?
The canonical SMILES for N-[1-(aminomethyl)-3-(2-methylpropyl)cyclohexyl]-N-methyl-1,1-dioxothiolan-3-amine is CC(C)CC1CCCC(CN)(N(C)C2CCS(=O)(=O)C2)C1.
What is the InChIKey of N-[1-(aminomethyl)-3-(2-methylpropyl)cyclohexyl]-N-methyl-1,1-dioxothiolan-3-amine?
The InChIKey is ZCPSRWDFRSDZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2S/c1-13(2)9-14-5-4-7-16(10-14,12-17)18(3)15-6-8-21(19,20)11-15/h13-15H,4-12,17H2,1-3H3.
What are the key properties of N-[1-(aminomethyl)-3-(2-methylpropyl)cyclohexyl]-N-methyl-1,1-dioxothiolan-3-amine?
N-[1-(aminomethyl)-3-(2-methylpropyl)cyclohexyl]-N-methyl-1,1-dioxothiolan-3-amine has a molecular weight of 316.51 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-3-(2-methylpropyl)cyclohexyl]-N-methyl-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 107428952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).