1-piperidin-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide

C9H17N5O2S — CID 64531785

IUPAC1-piperidin-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide
SMILESO=S(=O)(CC1CCCCN1)NCc1ncn[nH]1
InChIInChI=1S/C9H17N5O2S/c15-17(16,6-8-3-1-2-4-10-8)13-5-9-11-7-12-14-9/h7-8,10,13H,1-6H2,(H,11,12,14)
InChIKeyVFGIPNSOEHPWHQ-UHFFFAOYSA-N
MW259.33 g/mol
LogP-0.63
Rot. Bonds5

About 1-piperidin-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide

1-piperidin-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide (PubChem CID 64531785) has the molecular formula C9H17N5O2S and a molecular weight of 259.33 g/mol. Its IUPAC name is 1-piperidin-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide.

Molecular Properties

Compound Name1-piperidin-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide
PubChem CID64531785
Molecular FormulaC9H17N5O2S
Molecular Weight259.33 g/mol
Exact Mass259.11
IUPAC Name1-piperidin-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide
SMILESO=S(=O)(CC1CCCCN1)NCc1ncn[nH]1
InChIInChI=1S/C9H17N5O2S/c15-17(16,6-8-3-1-2-4-10-8)13-5-9-11-7-12-14-9/h7-8,10,13H,1-6H2,(H,11,12,14)
InChIKeyVFGIPNSOEHPWHQ-UHFFFAOYSA-N
XLogP-0.63
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 5-0.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-piperidin-2-yl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]ethanesulfonamide
CID 64531405
1-(azepan-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propan-2-amine
CID 79560554
2-pyrrolidin-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 61365653
1-pyrrolidin-2-yl-N-(1,3-thiazol-4-ylmethyl)methanesulfonamide
CID 63823783
N-[(2-hydroxyphenyl)methyl]-1-pyrrolidin-2-ylmethanesulfonamide
CID 115071289
N-(1H-1,2,4-triazol-5-ylmethyl)azepane-2-carboxamide
CID 64563265
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-piperidin-2-ylmethanesulfonamide
CID 106303557
N-(1H-1,2,4-triazol-5-ylmethyl)cycloheptanamine
CID 60978223
N-(1H-1,2,4-triazol-5-ylmethyl)prop-2-ene-1-sulfonamide
CID 79673895
N-phenyl-1-piperidin-2-ylmethanesulfonamide
CID 54974221
N-(5-bromo-1,3-thiazol-2-yl)-1-piperidin-2-ylmethanesulfonamide
CID 54974227
1-piperidin-4-yl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]methanesulfonamide
CID 64531586

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide?
The IUPAC name of 1-piperidin-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide (CID 64531785) is 1-piperidin-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide.
What is the SMILES notation for 1-piperidin-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide?
The canonical SMILES for 1-piperidin-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide is O=S(=O)(CC1CCCCN1)NCc1ncn[nH]1.
What is the InChIKey of 1-piperidin-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide?
The InChIKey is VFGIPNSOEHPWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O2S/c15-17(16,6-8-3-1-2-4-10-8)13-5-9-11-7-12-14-9/h7-8,10,13H,1-6H2,(H,11,12,14).
What are the key properties of 1-piperidin-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide?
1-piperidin-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide has a molecular weight of 259.33 g/mol, XLogP of -0.63, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide is sourced from PubChem (CID 64531785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).