N-(1H-1,2,4-triazol-5-yl)pyrrolidine-1-sulfonamide

C6H11N5O2S — CID 62946309

IUPACN-(1H-1,2,4-triazol-5-yl)pyrrolidine-1-sulfonamide
SMILESO=S(=O)(Nc1ncn[nH]1)N1CCCC1
InChIInChI=1S/C6H11N5O2S/c12-14(13,11-3-1-2-4-11)10-6-7-5-8-9-6/h5H,1-4H2,(H2,7,8,9,10)
InChIKeyKZGHKBGIQLLDEJ-UHFFFAOYSA-N
MW217.25 g/mol
LogP-0.44
Rot. Bonds3

About N-(1H-1,2,4-triazol-5-yl)pyrrolidine-1-sulfonamide

N-(1H-1,2,4-triazol-5-yl)pyrrolidine-1-sulfonamide (PubChem CID 62946309) has the molecular formula C6H11N5O2S and a molecular weight of 217.25 g/mol. Its IUPAC name is N-(1H-1,2,4-triazol-5-yl)pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-(1H-1,2,4-triazol-5-yl)pyrrolidine-1-sulfonamide
PubChem CID62946309
Molecular FormulaC6H11N5O2S
Molecular Weight217.25 g/mol
Exact Mass217.06
IUPAC NameN-(1H-1,2,4-triazol-5-yl)pyrrolidine-1-sulfonamide
SMILESO=S(=O)(Nc1ncn[nH]1)N1CCCC1
InChIInChI=1S/C6H11N5O2S/c12-14(13,11-3-1-2-4-11)10-6-7-5-8-9-6/h5H,1-4H2,(H2,7,8,9,10)
InChIKeyKZGHKBGIQLLDEJ-UHFFFAOYSA-N
XLogP-0.44
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.25
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1H-1,2,4-triazol-5-yl)pyrrolidine-1-sulfonamide?
The IUPAC name of N-(1H-1,2,4-triazol-5-yl)pyrrolidine-1-sulfonamide (CID 62946309) is N-(1H-1,2,4-triazol-5-yl)pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-(1H-1,2,4-triazol-5-yl)pyrrolidine-1-sulfonamide?
The canonical SMILES for N-(1H-1,2,4-triazol-5-yl)pyrrolidine-1-sulfonamide is O=S(=O)(Nc1ncn[nH]1)N1CCCC1.
What is the InChIKey of N-(1H-1,2,4-triazol-5-yl)pyrrolidine-1-sulfonamide?
The InChIKey is KZGHKBGIQLLDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5O2S/c12-14(13,11-3-1-2-4-11)10-6-7-5-8-9-6/h5H,1-4H2,(H2,7,8,9,10).
What are the key properties of N-(1H-1,2,4-triazol-5-yl)pyrrolidine-1-sulfonamide?
N-(1H-1,2,4-triazol-5-yl)pyrrolidine-1-sulfonamide has a molecular weight of 217.25 g/mol, XLogP of -0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-1,2,4-triazol-5-yl)pyrrolidine-1-sulfonamide is sourced from PubChem (CID 62946309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).