N-(1,1-dioxothiolan-3-yl)-N,4-dimethylpyrrolidin-3-amine

C10H20N2O2S — CID 81459205

IUPACN-(1,1-dioxothiolan-3-yl)-N,4-dimethylpyrrolidin-3-amine
SMILESCC1CNCC1N(C)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H20N2O2S/c1-8-5-11-6-10(8)12(2)9-3-4-15(13,14)7-9/h8-11H,3-7H2,1-2H3
InChIKeyPGLXMVFOKQBZKS-UHFFFAOYSA-N
MW232.35 g/mol
LogP-0.29
Rot. Bonds2

About N-(1,1-dioxothiolan-3-yl)-N,4-dimethylpyrrolidin-3-amine

N-(1,1-dioxothiolan-3-yl)-N,4-dimethylpyrrolidin-3-amine (PubChem CID 81459205) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N,4-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N,4-dimethylpyrrolidin-3-amine
PubChem CID81459205
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N,4-dimethylpyrrolidin-3-amine
SMILESCC1CNCC1N(C)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H20N2O2S/c1-8-5-11-6-10(8)12(2)9-3-4-15(13,14)7-9/h8-11H,3-7H2,1-2H3
InChIKeyPGLXMVFOKQBZKS-UHFFFAOYSA-N
XLogP-0.29
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-N,4-dimethylpyrrolidin-3-amine
CID 81460081
N-(1,1-dioxothian-4-yl)-N-methylazetidin-3-amine
CID 66187291
4-N-(1,1-dioxothiolan-3-yl)-4-N-methylcyclohexane-1,4-diamine
CID 62806024
1,2,3,3a,4,6,7,7a-octahydrothiopyrano[3,4-c]pyrrole 5,5-dioxide
CID 105436279
2-[(1,1-dioxothiolan-3-yl)-methylamino]-4-methylcyclohexane-1-carbonitrile
CID 43648717
(4S)-N,N,4-trimethylpyrrolidin-3-amine
CID 142439406
1-[(3R)-1,1-dioxothiolan-3-yl]-1,3,3-trimethylurea
CID 7282876
1,3-bis(1,1-dioxothiolan-3-yl)-1,3-dimethylurea
CID 108989373
N-(1,1-dioxothiolan-3-yl)-N-methylnitrous amide
CID 25810
2-[(1,1-dioxothiolan-3-yl)-methylamino]cyclopentan-1-one
CID 43797735
(3R,4R)-3,4-dimethylthiane 1,1-dioxide
CID 58714657
N-[(3R)-1,1-dioxothiolan-3-yl]-N-methylcarbamothioate
CID 7059128

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N,4-dimethylpyrrolidin-3-amine?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N,4-dimethylpyrrolidin-3-amine (CID 81459205) is N-(1,1-dioxothiolan-3-yl)-N,4-dimethylpyrrolidin-3-amine.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N,4-dimethylpyrrolidin-3-amine?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N,4-dimethylpyrrolidin-3-amine is CC1CNCC1N(C)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N,4-dimethylpyrrolidin-3-amine?
The InChIKey is PGLXMVFOKQBZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S/c1-8-5-11-6-10(8)12(2)9-3-4-15(13,14)7-9/h8-11H,3-7H2,1-2H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N,4-dimethylpyrrolidin-3-amine?
N-(1,1-dioxothiolan-3-yl)-N,4-dimethylpyrrolidin-3-amine has a molecular weight of 232.35 g/mol, XLogP of -0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N,4-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 81459205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).