1-piperidin-4-yl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]methanesulfonamide

C11H21N5O2S — CID 64531586

IUPAC1-piperidin-4-yl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]methanesulfonamide
SMILESO=S(=O)(CC1CCNCC1)NCCCc1ncn[nH]1
InChIInChI=1S/C11H21N5O2S/c17-19(18,8-10-3-6-12-7-4-10)15-5-1-2-11-13-9-14-16-11/h9-10,12,15H,1-8H2,(H,13,14,16)
InChIKeyQSHJCIURLULHRC-UHFFFAOYSA-N
MW287.39 g/mol
LogP-0.34
Rot. Bonds7

About 1-piperidin-4-yl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]methanesulfonamide

1-piperidin-4-yl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]methanesulfonamide (PubChem CID 64531586) has the molecular formula C11H21N5O2S and a molecular weight of 287.39 g/mol. Its IUPAC name is 1-piperidin-4-yl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]methanesulfonamide.

Molecular Properties

Compound Name1-piperidin-4-yl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]methanesulfonamide
PubChem CID64531586
Molecular FormulaC11H21N5O2S
Molecular Weight287.39 g/mol
Exact Mass287.14
IUPAC Name1-piperidin-4-yl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]methanesulfonamide
SMILESO=S(=O)(CC1CCNCC1)NCCCc1ncn[nH]1
InChIInChI=1S/C11H21N5O2S/c17-19(18,8-10-3-6-12-7-4-10)15-5-1-2-11-13-9-14-16-11/h9-10,12,15H,1-8H2,(H,13,14,16)
InChIKeyQSHJCIURLULHRC-UHFFFAOYSA-N
XLogP-0.34
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-piperidin-2-yl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]ethanesulfonamide
CID 64531405
1-chloro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]methanesulfonamide
CID 64523562
2-hydroxy-N-[3-(1H-1,2,4-triazol-5-yl)propyl]ethanesulfonamide
CID 79579379
N-[3-(1H-1,2,4-triazol-5-yl)propyl]cyclohexanesulfonamide
CID 64531690
N-[3-(1H-1,2,4-triazol-5-yl)propyl]oxane-4-sulfonamide
CID 64531284
1-(cyclopropylamino)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]propane-2-sulfonamide
CID 106068114
3-(propylamino)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]propane-1-sulfonamide
CID 106068101
N-[3-(dimethylamino)propyl]-1-piperidin-4-ylmethanesulfonamide
CID 54974104
N-[2-(3,5-difluorophenyl)ethyl]-1-piperidin-4-ylmethanesulfonamide
CID 62617015
1-piperidin-4-yl-N-(3-pyrrolidin-1-ylpropyl)methanesulfonamide
CID 62989954
1-(3-aminophenyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]methanesulfonamide
CID 64517241
1-piperidin-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide
CID 64531785

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-yl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]methanesulfonamide?
The IUPAC name of 1-piperidin-4-yl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]methanesulfonamide (CID 64531586) is 1-piperidin-4-yl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]methanesulfonamide.
What is the SMILES notation for 1-piperidin-4-yl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]methanesulfonamide?
The canonical SMILES for 1-piperidin-4-yl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]methanesulfonamide is O=S(=O)(CC1CCNCC1)NCCCc1ncn[nH]1.
What is the InChIKey of 1-piperidin-4-yl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]methanesulfonamide?
The InChIKey is QSHJCIURLULHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O2S/c17-19(18,8-10-3-6-12-7-4-10)15-5-1-2-11-13-9-14-16-11/h9-10,12,15H,1-8H2,(H,13,14,16).
What are the key properties of 1-piperidin-4-yl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]methanesulfonamide?
1-piperidin-4-yl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]methanesulfonamide has a molecular weight of 287.39 g/mol, XLogP of -0.34, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-yl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]methanesulfonamide is sourced from PubChem (CID 64531586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).