N-methyl-N-(1-methylsulfanylbutan-2-yl)-4-sulfanylbenzamide

C13H19NOS2 — CID 107034211

IUPACN-methyl-N-(1-methylsulfanylbutan-2-yl)-4-sulfanylbenzamide
SMILESCCC(CSC)N(C)C(=O)c1ccc(S)cc1
InChIInChI=1S/C13H19NOS2/c1-4-11(9-17-3)14(2)13(15)10-5-7-12(16)8-6-10/h5-8,11,16H,4,9H2,1-3H3
InChIKeyDYXFKYZOHDOIEF-UHFFFAOYSA-N
MW269.44 g/mol
LogP3.19
Rot. Bonds5

About N-methyl-N-(1-methylsulfanylbutan-2-yl)-4-sulfanylbenzamide

N-methyl-N-(1-methylsulfanylbutan-2-yl)-4-sulfanylbenzamide (PubChem CID 107034211) has the molecular formula C13H19NOS2 and a molecular weight of 269.44 g/mol. Its IUPAC name is N-methyl-N-(1-methylsulfanylbutan-2-yl)-4-sulfanylbenzamide.

Molecular Properties

Compound NameN-methyl-N-(1-methylsulfanylbutan-2-yl)-4-sulfanylbenzamide
PubChem CID107034211
Molecular FormulaC13H19NOS2
Molecular Weight269.44 g/mol
Exact Mass269.09
IUPAC NameN-methyl-N-(1-methylsulfanylbutan-2-yl)-4-sulfanylbenzamide
SMILESCCC(CSC)N(C)C(=O)c1ccc(S)cc1
InChIInChI=1S/C13H19NOS2/c1-4-11(9-17-3)14(2)13(15)10-5-7-12(16)8-6-10/h5-8,11,16H,4,9H2,1-3H3
InChIKeyDYXFKYZOHDOIEF-UHFFFAOYSA-N
XLogP3.19
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.44
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

4-carbamothioyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide
CID 112659645
4-bromo-3-chloro-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide
CID 112551619
3-amino-N,4-dimethyl-N-(1-methylsulfanylbutan-2-yl)benzamide
CID 112656391
6-chloro-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-3-carboxamide
CID 112551556
4-amino-3-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide
CID 112659238
N-(1-hydroxypropan-2-yl)-N-methyl-4-sulfanylbenzamide
CID 107034868
2,6-dihydroxy-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide
CID 107689562
6-[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]pyridine-3-carboxylic acid
CID 112663249
2-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-4-carboxamide
CID 112664138
N-methyl-N-(1-methylsulfanylbutan-2-yl)-2,3-dihydro-1H-indole-5-carboxamide
CID 112659261
2-[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]benzoic acid
CID 112657921
3-bromo-5-chloro-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide
CID 103909933

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-methylsulfanylbutan-2-yl)-4-sulfanylbenzamide?
The IUPAC name of N-methyl-N-(1-methylsulfanylbutan-2-yl)-4-sulfanylbenzamide (CID 107034211) is N-methyl-N-(1-methylsulfanylbutan-2-yl)-4-sulfanylbenzamide.
What is the SMILES notation for N-methyl-N-(1-methylsulfanylbutan-2-yl)-4-sulfanylbenzamide?
The canonical SMILES for N-methyl-N-(1-methylsulfanylbutan-2-yl)-4-sulfanylbenzamide is CCC(CSC)N(C)C(=O)c1ccc(S)cc1.
What is the InChIKey of N-methyl-N-(1-methylsulfanylbutan-2-yl)-4-sulfanylbenzamide?
The InChIKey is DYXFKYZOHDOIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS2/c1-4-11(9-17-3)14(2)13(15)10-5-7-12(16)8-6-10/h5-8,11,16H,4,9H2,1-3H3.
What are the key properties of N-methyl-N-(1-methylsulfanylbutan-2-yl)-4-sulfanylbenzamide?
N-methyl-N-(1-methylsulfanylbutan-2-yl)-4-sulfanylbenzamide has a molecular weight of 269.44 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-methylsulfanylbutan-2-yl)-4-sulfanylbenzamide is sourced from PubChem (CID 107034211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).