N-[(1-methylcyclopentyl)methyl]-1,1-dioxothiolan-3-amine

C11H21NO2S — CID 63822404

IUPACN-[(1-methylcyclopentyl)methyl]-1,1-dioxothiolan-3-amine
SMILESCC1(CNC2CCS(=O)(=O)C2)CCCC1
InChIInChI=1S/C11H21NO2S/c1-11(5-2-3-6-11)9-12-10-4-7-15(13,14)8-10/h10,12H,2-9H2,1H3
InChIKeySEMAQGAINKTUQB-UHFFFAOYSA-N
MW231.36 g/mol
LogP1.34
Rot. Bonds3

About N-[(1-methylcyclopentyl)methyl]-1,1-dioxothiolan-3-amine

N-[(1-methylcyclopentyl)methyl]-1,1-dioxothiolan-3-amine (PubChem CID 63822404) has the molecular formula C11H21NO2S and a molecular weight of 231.36 g/mol. Its IUPAC name is N-[(1-methylcyclopentyl)methyl]-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound NameN-[(1-methylcyclopentyl)methyl]-1,1-dioxothiolan-3-amine
PubChem CID63822404
Molecular FormulaC11H21NO2S
Molecular Weight231.36 g/mol
Exact Mass231.13
IUPAC NameN-[(1-methylcyclopentyl)methyl]-1,1-dioxothiolan-3-amine
SMILESCC1(CNC2CCS(=O)(=O)C2)CCCC1
InChIInChI=1S/C11H21NO2S/c1-11(5-2-3-6-11)9-12-10-4-7-15(13,14)8-10/h10,12H,2-9H2,1H3
InChIKeySEMAQGAINKTUQB-UHFFFAOYSA-N
XLogP1.34
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-methylcyclobutyl)methyl]-1,1-dioxothietan-3-amine
CID 130635070
N-[(1-methylsulfanylcyclopropyl)methyl]-1,1-dioxothian-3-amine
CID 107269974
N-[2-(3-methoxy-3-methylpiperidin-1-yl)ethyl]-1,1-dioxothiolan-3-amine
CID 107395631
1,1-dioxo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]thian-3-amine
CID 79353196
N'-(1,1-dioxothiolan-3-yl)ethane-1,2-diamine
CID 2772236
N-[(1,1-dioxothiolan-3-yl)methyl]-1,1-dioxothiolan-3-amine
CID 61057897
2-[[(3S)-1,1-dioxothiolan-3-yl]amino]ethanol
CID 7058904
4-[(1-methylcyclohexyl)methylamino]cyclohexane-1-carboxylic acid
CID 112753652
1-methyl-N-[(1-methylcyclohexyl)methyl]azepan-4-amine
CID 103903498
1-(1,1-dioxothiolan-3-yl)-3-ethyl-2-[(1-methylcyclopentyl)methyl]guanidine;hydroiodide
CID 111761102
N-(2,2-dimethylcyclobutyl)-1,1-dioxothiolan-3-amine
CID 130532869
N-(3,3-dimethylbutyl)-1,1-dioxothiolan-3-amine
CID 60683378

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylcyclopentyl)methyl]-1,1-dioxothiolan-3-amine?
The IUPAC name of N-[(1-methylcyclopentyl)methyl]-1,1-dioxothiolan-3-amine (CID 63822404) is N-[(1-methylcyclopentyl)methyl]-1,1-dioxothiolan-3-amine.
What is the SMILES notation for N-[(1-methylcyclopentyl)methyl]-1,1-dioxothiolan-3-amine?
The canonical SMILES for N-[(1-methylcyclopentyl)methyl]-1,1-dioxothiolan-3-amine is CC1(CNC2CCS(=O)(=O)C2)CCCC1.
What is the InChIKey of N-[(1-methylcyclopentyl)methyl]-1,1-dioxothiolan-3-amine?
The InChIKey is SEMAQGAINKTUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2S/c1-11(5-2-3-6-11)9-12-10-4-7-15(13,14)8-10/h10,12H,2-9H2,1H3.
What are the key properties of N-[(1-methylcyclopentyl)methyl]-1,1-dioxothiolan-3-amine?
N-[(1-methylcyclopentyl)methyl]-1,1-dioxothiolan-3-amine has a molecular weight of 231.36 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylcyclopentyl)methyl]-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 63822404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).