1-(2-ethylpyrrolidine-2-carbonyl)-3-[(sulfamoylamino)methyl]piperidine

C13H26N4O3S — CID 83064408

IUPAC1-(2-ethylpyrrolidine-2-carbonyl)-3-[(sulfamoylamino)methyl]piperidine
SMILESCCC1(C(=O)N2CCCC(CNS(N)(=O)=O)C2)CCCN1
InChIInChI=1S/C13H26N4O3S/c1-2-13(6-4-7-15-13)12(18)17-8-3-5-11(10-17)9-16-21(14,19)20/h11,15-16H,2-10H2,1H3,(H2,14,19,20)
InChIKeyMWJHUKBSCZNHLR-UHFFFAOYSA-N
MW318.44 g/mol
LogP-0.45
Rot. Bonds5

About 1-(2-ethylpyrrolidine-2-carbonyl)-3-[(sulfamoylamino)methyl]piperidine

1-(2-ethylpyrrolidine-2-carbonyl)-3-[(sulfamoylamino)methyl]piperidine (PubChem CID 83064408) has the molecular formula C13H26N4O3S and a molecular weight of 318.44 g/mol. Its IUPAC name is 1-(2-ethylpyrrolidine-2-carbonyl)-3-[(sulfamoylamino)methyl]piperidine.

Molecular Properties

Compound Name1-(2-ethylpyrrolidine-2-carbonyl)-3-[(sulfamoylamino)methyl]piperidine
PubChem CID83064408
Molecular FormulaC13H26N4O3S
Molecular Weight318.44 g/mol
Exact Mass318.17
IUPAC Name1-(2-ethylpyrrolidine-2-carbonyl)-3-[(sulfamoylamino)methyl]piperidine
SMILESCCC1(C(=O)N2CCCC(CNS(N)(=O)=O)C2)CCCN1
InChIInChI=1S/C13H26N4O3S/c1-2-13(6-4-7-15-13)12(18)17-8-3-5-11(10-17)9-16-21(14,19)20/h11,15-16H,2-10H2,1H3,(H2,14,19,20)
InChIKeyMWJHUKBSCZNHLR-UHFFFAOYSA-N
XLogP-0.45
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpyrrolidine-2-carbonyl)-3-[(sulfamoylamino)methyl]piperidine?
The IUPAC name of 1-(2-ethylpyrrolidine-2-carbonyl)-3-[(sulfamoylamino)methyl]piperidine (CID 83064408) is 1-(2-ethylpyrrolidine-2-carbonyl)-3-[(sulfamoylamino)methyl]piperidine.
What is the SMILES notation for 1-(2-ethylpyrrolidine-2-carbonyl)-3-[(sulfamoylamino)methyl]piperidine?
The canonical SMILES for 1-(2-ethylpyrrolidine-2-carbonyl)-3-[(sulfamoylamino)methyl]piperidine is CCC1(C(=O)N2CCCC(CNS(N)(=O)=O)C2)CCCN1.
What is the InChIKey of 1-(2-ethylpyrrolidine-2-carbonyl)-3-[(sulfamoylamino)methyl]piperidine?
The InChIKey is MWJHUKBSCZNHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O3S/c1-2-13(6-4-7-15-13)12(18)17-8-3-5-11(10-17)9-16-21(14,19)20/h11,15-16H,2-10H2,1H3,(H2,14,19,20).
What are the key properties of 1-(2-ethylpyrrolidine-2-carbonyl)-3-[(sulfamoylamino)methyl]piperidine?
1-(2-ethylpyrrolidine-2-carbonyl)-3-[(sulfamoylamino)methyl]piperidine has a molecular weight of 318.44 g/mol, XLogP of -0.45, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpyrrolidine-2-carbonyl)-3-[(sulfamoylamino)methyl]piperidine is sourced from PubChem (CID 83064408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).