1-piperidin-3-yl-N-(thiatriazol-5-yl)methanesulfonamide

C7H13N5O2S2 — CID 114912971

IUPAC1-piperidin-3-yl-N-(thiatriazol-5-yl)methanesulfonamide
SMILESO=S(=O)(CC1CCCNC1)Nc1nnns1
InChIInChI=1S/C7H13N5O2S2/c13-16(14,10-7-9-11-12-15-7)5-6-2-1-3-8-4-6/h6,8H,1-5H2,(H,9,10,12)
InChIKeyMYIYHTYLMVLDMS-UHFFFAOYSA-N
MW263.35 g/mol
LogP-0.33
Rot. Bonds4

About 1-piperidin-3-yl-N-(thiatriazol-5-yl)methanesulfonamide

1-piperidin-3-yl-N-(thiatriazol-5-yl)methanesulfonamide (PubChem CID 114912971) has the molecular formula C7H13N5O2S2 and a molecular weight of 263.35 g/mol. Its IUPAC name is 1-piperidin-3-yl-N-(thiatriazol-5-yl)methanesulfonamide.

Molecular Properties

Compound Name1-piperidin-3-yl-N-(thiatriazol-5-yl)methanesulfonamide
PubChem CID114912971
Molecular FormulaC7H13N5O2S2
Molecular Weight263.35 g/mol
Exact Mass263.05
IUPAC Name1-piperidin-3-yl-N-(thiatriazol-5-yl)methanesulfonamide
SMILESO=S(=O)(CC1CCCNC1)Nc1nnns1
InChIInChI=1S/C7H13N5O2S2/c13-16(14,10-7-9-11-12-15-7)5-6-2-1-3-8-4-6/h6,8H,1-5H2,(H,9,10,12)
InChIKeyMYIYHTYLMVLDMS-UHFFFAOYSA-N
XLogP-0.33
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.35
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(6-oxo-1H-pyridazin-3-yl)-1-piperidin-3-ylmethanesulfonamide
CID 116787354
N-(5-chloro-2-pyridinyl)-1-piperidin-3-ylmethanesulfonamide
CID 54972113
N-(3,5-dimethyl-1H-pyrazol-4-yl)-1-piperidin-3-ylmethanesulfonamide
CID 54972682
(3R)-N-(thiatriazol-5-yl)piperidine-3-carboxamide
CID 104982975
N-(cyclohexylmethyl)-1-piperidin-3-ylmethanesulfonamide
CID 54972626
N-(3-bromo-5-methylphenyl)-1-piperidin-3-ylmethanesulfonamide
CID 107584272
N-(3-fluoro-5-methylphenyl)-1-piperidin-3-ylmethanesulfonamide
CID 79050302
1-piperidin-3-yl-N-(1-propan-2-ylpyrazol-4-yl)methanesulfonamide
CID 62902333
1-piperidin-3-yl-N-(1,3-thiazol-4-ylmethyl)methanesulfonamide
CID 63823603
N-(2-cyclopropylpropan-2-yl)-1-piperidin-3-ylmethanesulfonamide
CID 114111424
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-piperidin-3-ylmethanesulfonamide
CID 55201911
N-(4-bromo-3-chlorophenyl)-1-piperidin-3-ylmethanesulfonamide
CID 107613659

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-3-yl-N-(thiatriazol-5-yl)methanesulfonamide?
The IUPAC name of 1-piperidin-3-yl-N-(thiatriazol-5-yl)methanesulfonamide (CID 114912971) is 1-piperidin-3-yl-N-(thiatriazol-5-yl)methanesulfonamide.
What is the SMILES notation for 1-piperidin-3-yl-N-(thiatriazol-5-yl)methanesulfonamide?
The canonical SMILES for 1-piperidin-3-yl-N-(thiatriazol-5-yl)methanesulfonamide is O=S(=O)(CC1CCCNC1)Nc1nnns1.
What is the InChIKey of 1-piperidin-3-yl-N-(thiatriazol-5-yl)methanesulfonamide?
The InChIKey is MYIYHTYLMVLDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O2S2/c13-16(14,10-7-9-11-12-15-7)5-6-2-1-3-8-4-6/h6,8H,1-5H2,(H,9,10,12).
What are the key properties of 1-piperidin-3-yl-N-(thiatriazol-5-yl)methanesulfonamide?
1-piperidin-3-yl-N-(thiatriazol-5-yl)methanesulfonamide has a molecular weight of 263.35 g/mol, XLogP of -0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-3-yl-N-(thiatriazol-5-yl)methanesulfonamide is sourced from PubChem (CID 114912971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).