3-(dimethylsulfamoylamino)-1-ethylpyrrolidine

C8H19N3O2S — CID 67579438

IUPAC3-(dimethylsulfamoylamino)-1-ethylpyrrolidine
SMILESCCN1CCC(NS(=O)(=O)N(C)C)C1
InChIInChI=1S/C8H19N3O2S/c1-4-11-6-5-8(7-11)9-14(12,13)10(2)3/h8-9H,4-7H2,1-3H3
InChIKeyKEDIJCLMQSJNCN-UHFFFAOYSA-N
MW221.33 g/mol
LogP-0.52
Rot. Bonds4

About 3-(dimethylsulfamoylamino)-1-ethylpyrrolidine

3-(dimethylsulfamoylamino)-1-ethylpyrrolidine (PubChem CID 67579438) has the molecular formula C8H19N3O2S and a molecular weight of 221.33 g/mol. Its IUPAC name is 3-(dimethylsulfamoylamino)-1-ethylpyrrolidine.

Molecular Properties

Compound Name3-(dimethylsulfamoylamino)-1-ethylpyrrolidine
PubChem CID67579438
Molecular FormulaC8H19N3O2S
Molecular Weight221.33 g/mol
Exact Mass221.12
IUPAC Name3-(dimethylsulfamoylamino)-1-ethylpyrrolidine
SMILESCCN1CCC(NS(=O)(=O)N(C)C)C1
InChIInChI=1S/C8H19N3O2S/c1-4-11-6-5-8(7-11)9-14(12,13)10(2)3/h8-9H,4-7H2,1-3H3
InChIKeyKEDIJCLMQSJNCN-UHFFFAOYSA-N
XLogP-0.52
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoylamino)-1-ethylpyrrolidine?
The IUPAC name of 3-(dimethylsulfamoylamino)-1-ethylpyrrolidine (CID 67579438) is 3-(dimethylsulfamoylamino)-1-ethylpyrrolidine.
What is the SMILES notation for 3-(dimethylsulfamoylamino)-1-ethylpyrrolidine?
The canonical SMILES for 3-(dimethylsulfamoylamino)-1-ethylpyrrolidine is CCN1CCC(NS(=O)(=O)N(C)C)C1.
What is the InChIKey of 3-(dimethylsulfamoylamino)-1-ethylpyrrolidine?
The InChIKey is KEDIJCLMQSJNCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O2S/c1-4-11-6-5-8(7-11)9-14(12,13)10(2)3/h8-9H,4-7H2,1-3H3.
What are the key properties of 3-(dimethylsulfamoylamino)-1-ethylpyrrolidine?
3-(dimethylsulfamoylamino)-1-ethylpyrrolidine has a molecular weight of 221.33 g/mol, XLogP of -0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoylamino)-1-ethylpyrrolidine is sourced from PubChem (CID 67579438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).