N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-piperidin-2-ylethanesulfonamide

C13H24N4O2S2 — CID 106261891

IUPACN-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-piperidin-2-ylethanesulfonamide
SMILESCC(C)Cc1nnc(NS(=O)(=O)CCC2CCCCN2)s1
InChIInChI=1S/C13H24N4O2S2/c1-10(2)9-12-15-16-13(20-12)17-21(18,19)8-6-11-5-3-4-7-14-11/h10-11,14H,3-9H2,1-2H3,(H,16,17)
InChIKeyPNFONOZALGGWND-UHFFFAOYSA-N
MW332.50 g/mol
LogP2.01
Rot. Bonds7

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

N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-piperidin-2-ylethanesulfonamide (PubChem CID 106261891) has the molecular formula C13H24N4O2S2 and a molecular weight of 332.50 g/mol. Its IUPAC name is N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-piperidin-2-ylethanesulfonamide.

Molecular Properties

Compound NameN-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-piperidin-2-ylethanesulfonamide
PubChem CID106261891
Molecular FormulaC13H24N4O2S2
Molecular Weight332.50 g/mol
Exact Mass332.13
IUPAC NameN-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-piperidin-2-ylethanesulfonamide
SMILESCC(C)Cc1nnc(NS(=O)(=O)CCC2CCCCN2)s1
InChIInChI=1S/C13H24N4O2S2/c1-10(2)9-12-15-16-13(20-12)17-21(18,19)8-6-11-5-3-4-7-14-11/h10-11,14H,3-9H2,1-2H3,(H,16,17)
InChIKeyPNFONOZALGGWND-UHFFFAOYSA-N
XLogP2.01
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.50
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]ethanesulfonamide
CID 106262441
1-chloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide
CID 106262446
N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-piperidin-2-ylethanesulfonamide
CID 114388291
N-(2-ethylcyclohexyl)-2-piperidin-2-ylethanesulfonamide
CID 61468215
(2R)-2-(2-propan-2-ylsulfonylethyl)piperidine
CID 28708555
N-(5-methyl-1,2-oxazol-3-yl)-2-piperidin-2-ylethanesulfonamide
CID 54973736
N-(2-methylsulfanylphenyl)-2-piperidin-2-ylethanesulfonamide
CID 107642155
N-(5-pyrrolidin-2-yl-1,3,4-thiadiazol-2-yl)propane-1-sulfonamide
CID 82176614
2-piperidin-2-yl-N-thiophen-3-ylethanesulfonamide
CID 66353750
N-(cyclopropylmethyl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 106260949
N,N-bis(2-methylpropyl)-2-piperidin-2-ylethanesulfonamide
CID 61378664
N-(2,6-dimethylcyclohexyl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 114165428

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-piperidin-2-ylethanesulfonamide?
The IUPAC name of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-piperidin-2-ylethanesulfonamide (CID 106261891) is N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-piperidin-2-ylethanesulfonamide.
What is the SMILES notation for N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-piperidin-2-ylethanesulfonamide?
The canonical SMILES for N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-piperidin-2-ylethanesulfonamide is CC(C)Cc1nnc(NS(=O)(=O)CCC2CCCCN2)s1.
What is the InChIKey of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-piperidin-2-ylethanesulfonamide?
The InChIKey is PNFONOZALGGWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S2/c1-10(2)9-12-15-16-13(20-12)17-21(18,19)8-6-11-5-3-4-7-14-11/h10-11,14H,3-9H2,1-2H3,(H,16,17).
What are the key properties of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-piperidin-2-ylethanesulfonamide?
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-piperidin-2-ylethanesulfonamide has a molecular weight of 332.50 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-piperidin-2-ylethanesulfonamide is sourced from PubChem (CID 106261891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).