2-[(2-chlorophenyl)sulfanylamino]-2-methylpropanal

C10H12ClNOS — CID 144522345

IUPAC2-[(2-chlorophenyl)sulfanylamino]-2-methylpropanal
SMILESCC(C)(C=O)NSc1ccccc1Cl
InChIInChI=1S/C10H12ClNOS/c1-10(2,7-13)12-14-9-6-4-3-5-8(9)11/h3-7,12H,1-2H3
InChIKeyFLIPJHKHWRSLGD-UHFFFAOYSA-N
MW229.73 g/mol
LogP2.91
Rot. Bonds4

About 2-[(2-chlorophenyl)sulfanylamino]-2-methylpropanal

2-[(2-chlorophenyl)sulfanylamino]-2-methylpropanal (PubChem CID 144522345) has the molecular formula C10H12ClNOS and a molecular weight of 229.73 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)sulfanylamino]-2-methylpropanal.

Molecular Properties

Compound Name2-[(2-chlorophenyl)sulfanylamino]-2-methylpropanal
PubChem CID144522345
Molecular FormulaC10H12ClNOS
Molecular Weight229.73 g/mol
Exact Mass229.03
IUPAC Name2-[(2-chlorophenyl)sulfanylamino]-2-methylpropanal
SMILESCC(C)(C=O)NSc1ccccc1Cl
InChIInChI=1S/C10H12ClNOS/c1-10(2,7-13)12-14-9-6-4-3-5-8(9)11/h3-7,12H,1-2H3
InChIKeyFLIPJHKHWRSLGD-UHFFFAOYSA-N
XLogP2.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.73
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-chlorophenyl)sulfanylamino]-2-methylpropanal
CID 144522854
2-(benzylsulfanylamino)-2-methylpropanal
CID 144522397
CID 160556343
CID 160556343
2-(2-chlorophenyl)sulfanyl-2-methylpropanenitrile
CID 66155246
6-[[2-[(2-chlorophenyl)sulfanylamino]-2-methylpropanoyl]amino]-3,7-dimethylbicyclo[3.3.1]nonane-3-carboxamide
CID 144522571
3-(2-chlorophenyl)sulfanyl-2-[(2-chlorophenyl)sulfanylmethyl]-2-methyl-N-(2-phenylpropan-2-yl)propanamide
CID 134120088
(2-chlorophenyl) thiohypofluorite
CID 152757433
1-chloro-2-hydroxysulfanylbenzene
CID 67172287
1-chloro-2-(disulfanyl)benzene
CID 18463445
N-(2-fluorophenyl)sulfanyl-2-methylpropan-2-amine
CID 145089031
2-(2-chlorophenyl)sulfanyl-2-methylbutanoic acid
CID 114994454
1-(2-chlorophenyl)sulfanyl-4-methylpent-3-en-2-one
CID 79190154

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)sulfanylamino]-2-methylpropanal?
The IUPAC name of 2-[(2-chlorophenyl)sulfanylamino]-2-methylpropanal (CID 144522345) is 2-[(2-chlorophenyl)sulfanylamino]-2-methylpropanal.
What is the SMILES notation for 2-[(2-chlorophenyl)sulfanylamino]-2-methylpropanal?
The canonical SMILES for 2-[(2-chlorophenyl)sulfanylamino]-2-methylpropanal is CC(C)(C=O)NSc1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)sulfanylamino]-2-methylpropanal?
The InChIKey is FLIPJHKHWRSLGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNOS/c1-10(2,7-13)12-14-9-6-4-3-5-8(9)11/h3-7,12H,1-2H3.
What are the key properties of 2-[(2-chlorophenyl)sulfanylamino]-2-methylpropanal?
2-[(2-chlorophenyl)sulfanylamino]-2-methylpropanal has a molecular weight of 229.73 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)sulfanylamino]-2-methylpropanal is sourced from PubChem (CID 144522345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).