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

C13H26N4O3S — CID 63143464

IUPAC1-(3-ethylpyrrolidine-3-carbonyl)-3-[(sulfamoylamino)methyl]piperidine
SMILESCCC1(C(=O)N2CCCC(CNS(N)(=O)=O)C2)CCNC1
InChIInChI=1S/C13H26N4O3S/c1-2-13(5-6-15-10-13)12(18)17-7-3-4-11(9-17)8-16-21(14,19)20/h11,15-16H,2-10H2,1H3,(H2,14,19,20)
InChIKeyZMQUMOXHAGSQGN-UHFFFAOYSA-N
MW318.44 g/mol
LogP-0.59
Rot. Bonds5

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

1-(3-ethylpyrrolidine-3-carbonyl)-3-[(sulfamoylamino)methyl]piperidine (PubChem CID 63143464) has the molecular formula C13H26N4O3S and a molecular weight of 318.44 g/mol. Its IUPAC name is 1-(3-ethylpyrrolidine-3-carbonyl)-3-[(sulfamoylamino)methyl]piperidine.

Molecular Properties

Compound Name1-(3-ethylpyrrolidine-3-carbonyl)-3-[(sulfamoylamino)methyl]piperidine
PubChem CID63143464
Molecular FormulaC13H26N4O3S
Molecular Weight318.44 g/mol
Exact Mass318.17
IUPAC Name1-(3-ethylpyrrolidine-3-carbonyl)-3-[(sulfamoylamino)methyl]piperidine
SMILESCCC1(C(=O)N2CCCC(CNS(N)(=O)=O)C2)CCNC1
InChIInChI=1S/C13H26N4O3S/c1-2-13(5-6-15-10-13)12(18)17-7-3-4-11(9-17)8-16-21(14,19)20/h11,15-16H,2-10H2,1H3,(H2,14,19,20)
InChIKeyZMQUMOXHAGSQGN-UHFFFAOYSA-N
XLogP-0.59
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 ≤ 5-0.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylpyrrolidine-3-carbonyl)-3-[(sulfamoylamino)methyl]piperidine?
The IUPAC name of 1-(3-ethylpyrrolidine-3-carbonyl)-3-[(sulfamoylamino)methyl]piperidine (CID 63143464) is 1-(3-ethylpyrrolidine-3-carbonyl)-3-[(sulfamoylamino)methyl]piperidine.
What is the SMILES notation for 1-(3-ethylpyrrolidine-3-carbonyl)-3-[(sulfamoylamino)methyl]piperidine?
The canonical SMILES for 1-(3-ethylpyrrolidine-3-carbonyl)-3-[(sulfamoylamino)methyl]piperidine is CCC1(C(=O)N2CCCC(CNS(N)(=O)=O)C2)CCNC1.
What is the InChIKey of 1-(3-ethylpyrrolidine-3-carbonyl)-3-[(sulfamoylamino)methyl]piperidine?
The InChIKey is ZMQUMOXHAGSQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O3S/c1-2-13(5-6-15-10-13)12(18)17-7-3-4-11(9-17)8-16-21(14,19)20/h11,15-16H,2-10H2,1H3,(H2,14,19,20).
What are the key properties of 1-(3-ethylpyrrolidine-3-carbonyl)-3-[(sulfamoylamino)methyl]piperidine?
1-(3-ethylpyrrolidine-3-carbonyl)-3-[(sulfamoylamino)methyl]piperidine has a molecular weight of 318.44 g/mol, XLogP of -0.59, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylpyrrolidine-3-carbonyl)-3-[(sulfamoylamino)methyl]piperidine is sourced from PubChem (CID 63143464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).