N-(2,2-dimethylcyclobutyl)-1,1-dioxothiolan-3-amine

C10H19NO2S — CID 130532869

IUPACN-(2,2-dimethylcyclobutyl)-1,1-dioxothiolan-3-amine
SMILESCC1(C)CCC1NC1CCS(=O)(=O)C1
InChIInChI=1S/C10H19NO2S/c1-10(2)5-3-9(10)11-8-4-6-14(12,13)7-8/h8-9,11H,3-7H2,1-2H3
InChIKeyDECGRGVJNKRKNC-UHFFFAOYSA-N
MW217.33 g/mol
LogP0.95
Rot. Bonds2

About N-(2,2-dimethylcyclobutyl)-1,1-dioxothiolan-3-amine

N-(2,2-dimethylcyclobutyl)-1,1-dioxothiolan-3-amine (PubChem CID 130532869) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is N-(2,2-dimethylcyclobutyl)-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound NameN-(2,2-dimethylcyclobutyl)-1,1-dioxothiolan-3-amine
PubChem CID130532869
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC NameN-(2,2-dimethylcyclobutyl)-1,1-dioxothiolan-3-amine
SMILESCC1(C)CCC1NC1CCS(=O)(=O)C1
InChIInChI=1S/C10H19NO2S/c1-10(2)5-3-9(10)11-8-4-6-14(12,13)7-8/h8-9,11H,3-7H2,1-2H3
InChIKeyDECGRGVJNKRKNC-UHFFFAOYSA-N
XLogP0.95
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-dimethylcyclopentyl)-1,1-dioxothian-4-amine
CID 79864492
N-(1,1-dioxothian-3-yl)-4,4-dimethylthian-3-amine
CID 79948037
(3R)-N-cyclopentyl-1,1-dioxothiolan-3-amine
CID 7129043
N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-1,1-dioxothiolan-3-amine
CID 64851363
N-[(1-methylcyclopentyl)methyl]-1,1-dioxothiolan-3-amine
CID 63822404
N-(2-methylcyclohexyl)-1,1-dioxothiolan-3-amine
CID 16784113
N-[(1,1-dioxothiolan-3-yl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 79835884
N-(2,4-dimethylcyclohexyl)-1,1-dioxothiolan-3-amine
CID 63993922
[(1,1-dioxothiolan-3-yl)amino]azanium;hydrochloride
CID 155928072
(1,1-dioxothiolan-3-yl)hydrazine;hydrochloride
CID 2770116
1-cyclopropyl-N-(1,1-dioxothiolan-3-yl)piperidin-4-amine
CID 63162610
3-[(3R)-1,1-dioxothiolan-3-yl]-1,1-dimethylurea
CID 7361259

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylcyclobutyl)-1,1-dioxothiolan-3-amine?
The IUPAC name of N-(2,2-dimethylcyclobutyl)-1,1-dioxothiolan-3-amine (CID 130532869) is N-(2,2-dimethylcyclobutyl)-1,1-dioxothiolan-3-amine.
What is the SMILES notation for N-(2,2-dimethylcyclobutyl)-1,1-dioxothiolan-3-amine?
The canonical SMILES for N-(2,2-dimethylcyclobutyl)-1,1-dioxothiolan-3-amine is CC1(C)CCC1NC1CCS(=O)(=O)C1.
What is the InChIKey of N-(2,2-dimethylcyclobutyl)-1,1-dioxothiolan-3-amine?
The InChIKey is DECGRGVJNKRKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-10(2)5-3-9(10)11-8-4-6-14(12,13)7-8/h8-9,11H,3-7H2,1-2H3.
What are the key properties of N-(2,2-dimethylcyclobutyl)-1,1-dioxothiolan-3-amine?
N-(2,2-dimethylcyclobutyl)-1,1-dioxothiolan-3-amine has a molecular weight of 217.33 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylcyclobutyl)-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 130532869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).