N-[(3S)-1-(1,2,4-thiadiazol-5-yl)piperidin-3-yl]methanesulfonamide

C8H14N4O2S2 — CID 99630783

IUPACN-[(3S)-1-(1,2,4-thiadiazol-5-yl)piperidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)N[C@H]1CCCN(c2ncns2)C1
InChIInChI=1S/C8H14N4O2S2/c1-16(13,14)11-7-3-2-4-12(5-7)8-9-6-10-15-8/h6-7,11H,2-5H2,1H3/t7-/m0/s1
InChIKeyDNEDCOVAHMGEAS-ZETCQYMHSA-N
MW262.36 g/mol
LogP0.06
Rot. Bonds3

About N-[(3S)-1-(1,2,4-thiadiazol-5-yl)piperidin-3-yl]methanesulfonamide

N-[(3S)-1-(1,2,4-thiadiazol-5-yl)piperidin-3-yl]methanesulfonamide (PubChem CID 99630783) has the molecular formula C8H14N4O2S2 and a molecular weight of 262.36 g/mol. Its IUPAC name is N-[(3S)-1-(1,2,4-thiadiazol-5-yl)piperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(3S)-1-(1,2,4-thiadiazol-5-yl)piperidin-3-yl]methanesulfonamide
PubChem CID99630783
Molecular FormulaC8H14N4O2S2
Molecular Weight262.36 g/mol
Exact Mass262.06
IUPAC NameN-[(3S)-1-(1,2,4-thiadiazol-5-yl)piperidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)N[C@H]1CCCN(c2ncns2)C1
InChIInChI=1S/C8H14N4O2S2/c1-16(13,14)11-7-3-2-4-12(5-7)8-9-6-10-15-8/h6-7,11H,2-5H2,1H3/t7-/m0/s1
InChIKeyDNEDCOVAHMGEAS-ZETCQYMHSA-N
XLogP0.06
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-(1,2,4-Thiadiazol-5-yl)piperazin-1-yl]pentan-1-amine
CID 65270343
N-(2-piperidin-1-ylpropyl)-1,2,4-thiadiazol-5-amine
CID 65271010
2-[4-(1,2,4-Thiadiazol-5-yl)piperazin-1-yl]pentanethioamide
CID 65271948
2-[4-(1,2,4-Thiadiazol-5-yl)piperazin-1-yl]butan-1-amine
CID 65272150
2-[4-(1,2,4-Thiadiazol-5-yl)piperazin-1-yl]pentan-1-amine
CID 65272258
[1-(1,2,4-Thiadiazol-5-yl)piperidin-2-yl]methanamine
CID 65275502
N-piperidin-3-yl-N-propyl-1,2,4-thiadiazol-5-amine
CID 65275575
4-Methyl-1-(1,2,4-thiadiazol-5-yl)piperidin-3-amine
CID 65275797
1-[1-(1,2,4-Thiadiazol-5-yl)piperidin-2-yl]ethanamine
CID 65275839
[6-Methyl-1-(1,2,4-thiadiazol-5-yl)piperidin-2-yl]methanamine
CID 65275957
1-(1,2,4-Thiadiazol-5-yl)piperidin-3-amine
CID 65276039
N-methyl-1-(1,2,4-thiadiazol-5-yl)piperidin-3-amine
CID 65276098

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(1,2,4-thiadiazol-5-yl)piperidin-3-yl]methanesulfonamide?
The IUPAC name of N-[(3S)-1-(1,2,4-thiadiazol-5-yl)piperidin-3-yl]methanesulfonamide (CID 99630783) is N-[(3S)-1-(1,2,4-thiadiazol-5-yl)piperidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[(3S)-1-(1,2,4-thiadiazol-5-yl)piperidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[(3S)-1-(1,2,4-thiadiazol-5-yl)piperidin-3-yl]methanesulfonamide is CS(=O)(=O)N[C@H]1CCCN(c2ncns2)C1.
What is the InChIKey of N-[(3S)-1-(1,2,4-thiadiazol-5-yl)piperidin-3-yl]methanesulfonamide?
The InChIKey is DNEDCOVAHMGEAS-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H14N4O2S2/c1-16(13,14)11-7-3-2-4-12(5-7)8-9-6-10-15-8/h6-7,11H,2-5H2,1H3/t7-/m0/s1.
What are the key properties of N-[(3S)-1-(1,2,4-thiadiazol-5-yl)piperidin-3-yl]methanesulfonamide?
N-[(3S)-1-(1,2,4-thiadiazol-5-yl)piperidin-3-yl]methanesulfonamide has a molecular weight of 262.36 g/mol, XLogP of 0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(1,2,4-thiadiazol-5-yl)piperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 99630783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).