4-propan-2-yl-2-sulfanylbenzamide

C10H13NOS — CID 155744664

IUPAC4-propan-2-yl-2-sulfanylbenzamide
SMILESCC(C)c1ccc(C(N)=O)c(S)c1
InChIInChI=1S/C10H13NOS/c1-6(2)7-3-4-8(10(11)12)9(13)5-7/h3-6,13H,1-2H3,(H2,11,12)
InChIKeyNFEQQOZSMHBWSI-UHFFFAOYSA-N
MW195.29 g/mol
LogP2.20
Rot. Bonds2

About 4-propan-2-yl-2-sulfanylbenzamide

4-propan-2-yl-2-sulfanylbenzamide (PubChem CID 155744664) has the molecular formula C10H13NOS and a molecular weight of 195.29 g/mol. Its IUPAC name is 4-propan-2-yl-2-sulfanylbenzamide.

Molecular Properties

Compound Name4-propan-2-yl-2-sulfanylbenzamide
PubChem CID155744664
Molecular FormulaC10H13NOS
Molecular Weight195.29 g/mol
Exact Mass195.07
IUPAC Name4-propan-2-yl-2-sulfanylbenzamide
SMILESCC(C)c1ccc(C(N)=O)c(S)c1
InChIInChI=1S/C10H13NOS/c1-6(2)7-3-4-8(10(11)12)9(13)5-7/h3-6,13H,1-2H3,(H2,11,12)
InChIKeyNFEQQOZSMHBWSI-UHFFFAOYSA-N
XLogP2.20
TPSA43.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-2-sulfanylbenzamide
CID 89156088
2-(piperidine-1-carbonyl)-5-propan-2-ylbenzamide
CID 68832507
2-methyl-4-propan-2-ylbenzoic acid
CID 22444417
3,4-bis(sulfanyl)benzene-1,2-dicarboxamide
CID 141147444
2-iodo-4-propan-2-ylbenzoic acid
CID 131312155
1-[2,4-di(propan-2-yl)phenyl]-2-methylpropan-1-one
CID 43160225
2-sulfanyl-4-tritylbenzamide
CID 67328348
2-tert-butyl-4-propan-2-ylbenzoic acid
CID 70422407
1-(2-chloro-4-propan-2-ylphenyl)-2-methylpropan-1-one
CID 163264575
5-[(1R)-1-aminoethyl]-2-hydroxybenzamide
CID 55255475
2-(methylamino)-5-propan-2-ylbenzenethiol
CID 1482375
5-propan-2-yl-2-[2,4,6-tris(methylamino)anilino]benzamide
CID 174595402

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-2-sulfanylbenzamide?
The IUPAC name of 4-propan-2-yl-2-sulfanylbenzamide (CID 155744664) is 4-propan-2-yl-2-sulfanylbenzamide.
What is the SMILES notation for 4-propan-2-yl-2-sulfanylbenzamide?
The canonical SMILES for 4-propan-2-yl-2-sulfanylbenzamide is CC(C)c1ccc(C(N)=O)c(S)c1.
What is the InChIKey of 4-propan-2-yl-2-sulfanylbenzamide?
The InChIKey is NFEQQOZSMHBWSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NOS/c1-6(2)7-3-4-8(10(11)12)9(13)5-7/h3-6,13H,1-2H3,(H2,11,12).
What are the key properties of 4-propan-2-yl-2-sulfanylbenzamide?
4-propan-2-yl-2-sulfanylbenzamide has a molecular weight of 195.29 g/mol, XLogP of 2.20, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-2-sulfanylbenzamide is sourced from PubChem (CID 155744664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).