(2S,4S)-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]-2-methylpiperidine-4-carboxamide

C10H17N5O3S2 — CID 120624142

IUPAC(2S,4S)-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]-2-methylpiperidine-4-carboxamide
SMILESC[C@H]1C[C@@H](C(=O)Nc2nnc(NS(C)(=O)=O)s2)CCN1
InChIInChI=1S/C10H17N5O3S2/c1-6-5-7(3-4-11-6)8(16)12-9-13-14-10(19-9)15-20(2,17)18/h6-7,11H,3-5H2,1-2H3,(H,14,15)(H,12,13,16)/t6-,7-/m0/s1
InChIKeyJFDBJLHQNBCMPZ-BQBZGAKWSA-N
MW319.41 g/mol
LogP0.24
Rot. Bonds4

About (2S,4S)-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]-2-methylpiperidine-4-carboxamide

(2S,4S)-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]-2-methylpiperidine-4-carboxamide (PubChem CID 120624142) has the molecular formula C10H17N5O3S2 and a molecular weight of 319.41 g/mol. Its IUPAC name is (2S,4S)-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]-2-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]-2-methylpiperidine-4-carboxamide
PubChem CID120624142
Molecular FormulaC10H17N5O3S2
Molecular Weight319.41 g/mol
Exact Mass319.08
IUPAC Name(2S,4S)-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]-2-methylpiperidine-4-carboxamide
SMILESC[C@H]1C[C@@H](C(=O)Nc2nnc(NS(C)(=O)=O)s2)CCN1
InChIInChI=1S/C10H17N5O3S2/c1-6-5-7(3-4-11-6)8(16)12-9-13-14-10(19-9)15-20(2,17)18/h6-7,11H,3-5H2,1-2H3,(H,14,15)(H,12,13,16)/t6-,7-/m0/s1
InChIKeyJFDBJLHQNBCMPZ-BQBZGAKWSA-N
XLogP0.24
TPSA113.08 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

(2S,4S)-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-methylpiperidine-4-carboxamide
CID 120625071
2-methyl-N-(5-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 106738614
(2S,4S)-N-[3-(methanesulfonamido)-4-methylphenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120620801
(2S,4S)-2-methyl-N-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 120631372
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-methylpiperidine-4-carboxamide
CID 106739831
1-(2,2-difluoroethyl)-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 136539812
2-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120634432
(2S,4S)-N-[5-[(3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120631353
(2S,4S)-N-[4-(cyclopropanecarbonylamino)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120619530
4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-2-carboxamide
CID 114424585
1-(3-chloro-4-fluorophenyl)sulfonyl-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 55977883
(2S,4S)-N-(3,5-difluorophenyl)-2-methylpiperidine-4-carboxamide
CID 120619158

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]-2-methylpiperidine-4-carboxamide?
The IUPAC name of (2S,4S)-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]-2-methylpiperidine-4-carboxamide (CID 120624142) is (2S,4S)-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]-2-methylpiperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]-2-methylpiperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]-2-methylpiperidine-4-carboxamide is C[C@H]1C[C@@H](C(=O)Nc2nnc(NS(C)(=O)=O)s2)CCN1.
What is the InChIKey of (2S,4S)-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]-2-methylpiperidine-4-carboxamide?
The InChIKey is JFDBJLHQNBCMPZ-BQBZGAKWSA-N. The full InChI is InChI=1S/C10H17N5O3S2/c1-6-5-7(3-4-11-6)8(16)12-9-13-14-10(19-9)15-20(2,17)18/h6-7,11H,3-5H2,1-2H3,(H,14,15)(H,12,13,16)/t6-,7-/m0/s1.
What are the key properties of (2S,4S)-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]-2-methylpiperidine-4-carboxamide?
(2S,4S)-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]-2-methylpiperidine-4-carboxamide has a molecular weight of 319.41 g/mol, XLogP of 0.24, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]-2-methylpiperidine-4-carboxamide is sourced from PubChem (CID 120624142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).