N-butyl-5-ethylsulfonyl-N-methyl-1,3,4-thiadiazole-2-carboxamide

C10H17N3O3S2 — CID 154148953

IUPACN-butyl-5-ethylsulfonyl-N-methyl-1,3,4-thiadiazole-2-carboxamide
SMILESCCCCN(C)C(=O)c1nnc(S(=O)(=O)CC)s1
InChIInChI=1S/C10H17N3O3S2/c1-4-6-7-13(3)9(14)8-11-12-10(17-8)18(15,16)5-2/h4-7H2,1-3H3
InChIKeyBKDIRJNXPALKLE-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.20
Rot. Bonds6

About N-butyl-5-ethylsulfonyl-N-methyl-1,3,4-thiadiazole-2-carboxamide

N-butyl-5-ethylsulfonyl-N-methyl-1,3,4-thiadiazole-2-carboxamide (PubChem CID 154148953) has the molecular formula C10H17N3O3S2 and a molecular weight of 291.40 g/mol. Its IUPAC name is N-butyl-5-ethylsulfonyl-N-methyl-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-butyl-5-ethylsulfonyl-N-methyl-1,3,4-thiadiazole-2-carboxamide
PubChem CID154148953
Molecular FormulaC10H17N3O3S2
Molecular Weight291.40 g/mol
Exact Mass291.07
IUPAC NameN-butyl-5-ethylsulfonyl-N-methyl-1,3,4-thiadiazole-2-carboxamide
SMILESCCCCN(C)C(=O)c1nnc(S(=O)(=O)CC)s1
InChIInChI=1S/C10H17N3O3S2/c1-4-6-7-13(3)9(14)8-11-12-10(17-8)18(15,16)5-2/h4-7H2,1-3H3
InChIKeyBKDIRJNXPALKLE-UHFFFAOYSA-N
XLogP1.20
TPSA80.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-butyl-5-ethylsulfonyl-N-methyl-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-butyl-5-ethylsulfonyl-N-methyl-1,3,4-thiadiazole-2-carboxamide (CID 154148953) is N-butyl-5-ethylsulfonyl-N-methyl-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-butyl-5-ethylsulfonyl-N-methyl-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-butyl-5-ethylsulfonyl-N-methyl-1,3,4-thiadiazole-2-carboxamide is CCCCN(C)C(=O)c1nnc(S(=O)(=O)CC)s1.
What is the InChIKey of N-butyl-5-ethylsulfonyl-N-methyl-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is BKDIRJNXPALKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3S2/c1-4-6-7-13(3)9(14)8-11-12-10(17-8)18(15,16)5-2/h4-7H2,1-3H3.
What are the key properties of N-butyl-5-ethylsulfonyl-N-methyl-1,3,4-thiadiazole-2-carboxamide?
N-butyl-5-ethylsulfonyl-N-methyl-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 291.40 g/mol, XLogP of 1.20, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-ethylsulfonyl-N-methyl-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 154148953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).