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

C7H13N3O2S2 — CID 846179

IUPACN-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide
SMILESCC(C)Cc1nnc(NS(C)(=O)=O)s1
InChIInChI=1S/C7H13N3O2S2/c1-5(2)4-6-8-9-7(13-6)10-14(3,11)12/h5H,4H2,1-3H3,(H,9,10)
InChIKeyPTZWEQUWMCMDQG-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.11
Rot. Bonds4

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

N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide (PubChem CID 846179) has the molecular formula C7H13N3O2S2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide
PubChem CID846179
Molecular FormulaC7H13N3O2S2
Molecular Weight235.33 g/mol
Exact Mass235.04
IUPAC NameN-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide
SMILESCC(C)Cc1nnc(NS(C)(=O)=O)s1
InChIInChI=1S/C7H13N3O2S2/c1-5(2)4-6-8-9-7(13-6)10-14(3,11)12/h5H,4H2,1-3H3,(H,9,10)
InChIKeyPTZWEQUWMCMDQG-UHFFFAOYSA-N
XLogP1.11
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide?
The IUPAC name of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide (CID 846179) is N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide.
What is the SMILES notation for N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide?
The canonical SMILES for N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide is CC(C)Cc1nnc(NS(C)(=O)=O)s1.
What is the InChIKey of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide?
The InChIKey is PTZWEQUWMCMDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2S2/c1-5(2)4-6-8-9-7(13-6)10-14(3,11)12/h5H,4H2,1-3H3,(H,9,10).
What are the key properties of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide?
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide has a molecular weight of 235.33 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide is sourced from PubChem (CID 846179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).