3-[aminooxysulfanyl(methyl)amino]-N,N-dimethylpyrrolidine-1-carboxamide

C8H18N4O2S — CID 137402450

IUPAC3-[aminooxysulfanyl(methyl)amino]-N,N-dimethylpyrrolidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(N(C)SON)C1
InChIInChI=1S/C8H18N4O2S/c1-10(2)8(13)12-5-4-7(6-12)11(3)15-14-9/h7H,4-6,9H2,1-3H3
InChIKeyWIXXQTXTBGPQSY-UHFFFAOYSA-N
MW234.32 g/mol
LogP0.13
Rot. Bonds3

About 3-[aminooxysulfanyl(methyl)amino]-N,N-dimethylpyrrolidine-1-carboxamide

3-[aminooxysulfanyl(methyl)amino]-N,N-dimethylpyrrolidine-1-carboxamide (PubChem CID 137402450) has the molecular formula C8H18N4O2S and a molecular weight of 234.32 g/mol. Its IUPAC name is 3-[aminooxysulfanyl(methyl)amino]-N,N-dimethylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-[aminooxysulfanyl(methyl)amino]-N,N-dimethylpyrrolidine-1-carboxamide
PubChem CID137402450
Molecular FormulaC8H18N4O2S
Molecular Weight234.32 g/mol
Exact Mass234.12
IUPAC Name3-[aminooxysulfanyl(methyl)amino]-N,N-dimethylpyrrolidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(N(C)SON)C1
InChIInChI=1S/C8H18N4O2S/c1-10(2)8(13)12-5-4-7(6-12)11(3)15-14-9/h7H,4-6,9H2,1-3H3
InChIKeyWIXXQTXTBGPQSY-UHFFFAOYSA-N
XLogP0.13
TPSA62.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[ethyl(methyl)amino]-N,N-dimethylpyrrolidine-1-carboxamide
CID 166901348
4-(dimethylamino)-N,N-dimethylpiperidine-1-carboxamide
CID 110470375
CID 170767414
CID 170767414
N,N,9-trimethyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 115667112
ethane;ethyl 3-(dimethylamino)pyrrolidine-1-carboxylate
CID 162757671
N,N-dimethyl-3-sulfamoylpyrrolidine-1-carboxamide
CID 136525151
N,N-dimethyl-4-propan-2-ylpiperidine-1-carboxamide
CID 58688988
ethane;4-hydroxy-N,N-dimethylpiperidine-1-carboxamide
CID 177000200
(3R)-3-(2,2-dimethylpropyl)-N,N-dimethylpyrrolidine-1-carboxamide
CID 164775319
4-carbamothioyl-N,N-dimethylpiperidine-1-carboxamide
CID 79154300
ethyl 3-(dimethylamino)piperidine-1-carboxylate
CID 63862577
ethyl 4-[ethyl(methyl)amino]piperidine-1-carboxylate
CID 143591988

Frequently Asked Questions

What is the IUPAC name of 3-[aminooxysulfanyl(methyl)amino]-N,N-dimethylpyrrolidine-1-carboxamide?
The IUPAC name of 3-[aminooxysulfanyl(methyl)amino]-N,N-dimethylpyrrolidine-1-carboxamide (CID 137402450) is 3-[aminooxysulfanyl(methyl)amino]-N,N-dimethylpyrrolidine-1-carboxamide.
What is the SMILES notation for 3-[aminooxysulfanyl(methyl)amino]-N,N-dimethylpyrrolidine-1-carboxamide?
The canonical SMILES for 3-[aminooxysulfanyl(methyl)amino]-N,N-dimethylpyrrolidine-1-carboxamide is CN(C)C(=O)N1CCC(N(C)SON)C1.
What is the InChIKey of 3-[aminooxysulfanyl(methyl)amino]-N,N-dimethylpyrrolidine-1-carboxamide?
The InChIKey is WIXXQTXTBGPQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4O2S/c1-10(2)8(13)12-5-4-7(6-12)11(3)15-14-9/h7H,4-6,9H2,1-3H3.
What are the key properties of 3-[aminooxysulfanyl(methyl)amino]-N,N-dimethylpyrrolidine-1-carboxamide?
3-[aminooxysulfanyl(methyl)amino]-N,N-dimethylpyrrolidine-1-carboxamide has a molecular weight of 234.32 g/mol, XLogP of 0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[aminooxysulfanyl(methyl)amino]-N,N-dimethylpyrrolidine-1-carboxamide is sourced from PubChem (CID 137402450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).