N-tert-butyl-N-[(S)-(4-methylphenyl)sulfinyl]propanamide

C14H21NO2S — CID 11000027

IUPACN-tert-butyl-N-[(S)-(4-methylphenyl)sulfinyl]propanamide
SMILESCCC(=O)N([S@@](=O)c1ccc(C)cc1)C(C)(C)C
InChIInChI=1S/C14H21NO2S/c1-6-13(16)15(14(3,4)5)18(17)12-9-7-11(2)8-10-12/h7-10H,6H2,1-5H3/t18-/m0/s1
InChIKeyKJDMBTRFRUSWJJ-SFHVURJKSA-N
MW267.39 g/mol
LogP3.05
Rot. Bonds3

About N-tert-butyl-N-[(S)-(4-methylphenyl)sulfinyl]propanamide

N-tert-butyl-N-[(S)-(4-methylphenyl)sulfinyl]propanamide (PubChem CID 11000027) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is N-tert-butyl-N-[(S)-(4-methylphenyl)sulfinyl]propanamide.

Molecular Properties

Compound NameN-tert-butyl-N-[(S)-(4-methylphenyl)sulfinyl]propanamide
PubChem CID11000027
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC NameN-tert-butyl-N-[(S)-(4-methylphenyl)sulfinyl]propanamide
SMILESCCC(=O)N([S@@](=O)c1ccc(C)cc1)C(C)(C)C
InChIInChI=1S/C14H21NO2S/c1-6-13(16)15(14(3,4)5)18(17)12-9-7-11(2)8-10-12/h7-10H,6H2,1-5H3/t18-/m0/s1
InChIKeyKJDMBTRFRUSWJJ-SFHVURJKSA-N
XLogP3.05
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(tert-butyl)-4-{methyl[(4-methylphenyl)sulfonyl]amino}butanamide
CID 2136205
2-Tert-butyl-1-oxo-5-phenyl-1,2-thiazol-3-one
CID 16717602
N-((4-Methylphenyl)sulfonyl)acetamide
CID 286222
N-[(4-methylphenyl)sulfonyl]propanamide
CID 3113783
N-methyl-N-(4-methylphenyl)sulfonylacetamide
CID 773301
2-methyl-N-(4-methylphenyl)sulfonyl-N-prop-2-enylprop-2-enamide
CID 11219710
2H-Pyrrol-2-one, 1,5-dihydro-3-methyl-1-[(4-methylphenyl)sulfonyl]-
CID 11368740
N-(2,2-dimethyl-propionyl)-4-methyl-benzenesulfonamide
CID 13115461
4,4-Dimethyl-1-(4-methylphenyl)sulfonyl-3-non-1-ynylazetidin-2-one
CID 15232552
2,2-dimethyl-N-[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]propanamide
CID 162396809
N,2-dimethyl-N-(4-methylphenyl)sulfonylprop-2-enamide
CID 166437221
N-(Tert-butyl)-2-(((4-methylphenyl)sulfonyl)amino)propanamide
CID 3876999

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-[(S)-(4-methylphenyl)sulfinyl]propanamide?
The IUPAC name of N-tert-butyl-N-[(S)-(4-methylphenyl)sulfinyl]propanamide (CID 11000027) is N-tert-butyl-N-[(S)-(4-methylphenyl)sulfinyl]propanamide.
What is the SMILES notation for N-tert-butyl-N-[(S)-(4-methylphenyl)sulfinyl]propanamide?
The canonical SMILES for N-tert-butyl-N-[(S)-(4-methylphenyl)sulfinyl]propanamide is CCC(=O)N([S@@](=O)c1ccc(C)cc1)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N-[(S)-(4-methylphenyl)sulfinyl]propanamide?
The InChIKey is KJDMBTRFRUSWJJ-SFHVURJKSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-6-13(16)15(14(3,4)5)18(17)12-9-7-11(2)8-10-12/h7-10H,6H2,1-5H3/t18-/m0/s1.
What are the key properties of N-tert-butyl-N-[(S)-(4-methylphenyl)sulfinyl]propanamide?
N-tert-butyl-N-[(S)-(4-methylphenyl)sulfinyl]propanamide has a molecular weight of 267.39 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-[(S)-(4-methylphenyl)sulfinyl]propanamide is sourced from PubChem (CID 11000027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).