[1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-2-yl]methanesulfonamide

C9H15ClN4O2S2 — CID 146121289

IUPAC[1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-2-yl]methanesulfonamide
SMILESNS(=O)(=O)CC1CCCCN1Cc1nnsc1Cl
InChIInChI=1S/C9H15ClN4O2S2/c10-9-8(12-13-17-9)5-14-4-2-1-3-7(14)6-18(11,15)16/h7H,1-6H2,(H2,11,15,16)
InChIKeyZYCYZXPLHCLYSY-UHFFFAOYSA-N
MW310.83 g/mol
LogP0.83
Rot. Bonds4

About [1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-2-yl]methanesulfonamide

[1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-2-yl]methanesulfonamide (PubChem CID 146121289) has the molecular formula C9H15ClN4O2S2 and a molecular weight of 310.83 g/mol. Its IUPAC name is [1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-2-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-2-yl]methanesulfonamide
PubChem CID146121289
Molecular FormulaC9H15ClN4O2S2
Molecular Weight310.83 g/mol
Exact Mass310.03
IUPAC Name[1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-2-yl]methanesulfonamide
SMILESNS(=O)(=O)CC1CCCCN1Cc1nnsc1Cl
InChIInChI=1S/C9H15ClN4O2S2/c10-9-8(12-13-17-9)5-14-4-2-1-3-7(14)6-18(11,15)16/h7H,1-6H2,(H2,11,15,16)
InChIKeyZYCYZXPLHCLYSY-UHFFFAOYSA-N
XLogP0.83
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-4-[[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]thiadiazole
CID 95343944
5-chloro-4-[[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]thiadiazole
CID 95343943
5-chloro-4-[[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]thiadiazole
CID 95978808
5-chloro-4-[[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]thiadiazole
CID 95338508
[4-[(2-ethylpyrrolidin-1-yl)methyl]thiadiazol-5-yl]hydrazine
CID 62245357
[(2S)-1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-yl]methanesulfonamide
CID 97012606
[1-[[5-(propylamino)thiadiazol-4-yl]methyl]piperidin-2-yl]methanol
CID 62208088
4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-5-chlorothiadiazole
CID 115824241
[1-[(3-methyl-1-benzothiophen-2-yl)methyl]piperidin-2-yl]methanesulfonamide
CID 166371195
[1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidin-2-yl]methanesulfonamide
CID 122150909
2-[(5-chlorothiadiazol-4-yl)methyl]thiazinane 1,1-dioxide
CID 130921178
3-[(2S)-1-[(5-chlorothiadiazol-4-yl)methyl]pyrrolidin-2-yl]-5-ethyl-1,2,4-oxadiazole
CID 95766227

Frequently Asked Questions

What is the IUPAC name of [1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-2-yl]methanesulfonamide?
The IUPAC name of [1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-2-yl]methanesulfonamide (CID 146121289) is [1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-2-yl]methanesulfonamide.
What is the SMILES notation for [1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-2-yl]methanesulfonamide?
The canonical SMILES for [1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-2-yl]methanesulfonamide is NS(=O)(=O)CC1CCCCN1Cc1nnsc1Cl.
What is the InChIKey of [1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-2-yl]methanesulfonamide?
The InChIKey is ZYCYZXPLHCLYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN4O2S2/c10-9-8(12-13-17-9)5-14-4-2-1-3-7(14)6-18(11,15)16/h7H,1-6H2,(H2,11,15,16).
What are the key properties of [1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-2-yl]methanesulfonamide?
[1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-2-yl]methanesulfonamide has a molecular weight of 310.83 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-2-yl]methanesulfonamide is sourced from PubChem (CID 146121289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).