N,N-dimethyl-4-[1-(3-methylphenyl)ethylsulfinyl]butanamide

C15H23NO2S — CID 75380074

IUPACN,N-dimethyl-4-[1-(3-methylphenyl)ethylsulfinyl]butanamide
SMILESCc1cccc(C(C)S(=O)CCCC(=O)N(C)C)c1
InChIInChI=1S/C15H23NO2S/c1-12-7-5-8-14(11-12)13(2)19(18)10-6-9-15(17)16(3)4/h5,7-8,11,13H,6,9-10H2,1-4H3
InChIKeyAXMQDKYJDBXLDW-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.67
Rot. Bonds6

About N,N-dimethyl-4-[1-(3-methylphenyl)ethylsulfinyl]butanamide

N,N-dimethyl-4-[1-(3-methylphenyl)ethylsulfinyl]butanamide (PubChem CID 75380074) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is N,N-dimethyl-4-[1-(3-methylphenyl)ethylsulfinyl]butanamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[1-(3-methylphenyl)ethylsulfinyl]butanamide
PubChem CID75380074
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC NameN,N-dimethyl-4-[1-(3-methylphenyl)ethylsulfinyl]butanamide
SMILESCc1cccc(C(C)S(=O)CCCC(=O)N(C)C)c1
InChIInChI=1S/C15H23NO2S/c1-12-7-5-8-14(11-12)13(2)19(18)10-6-9-15(17)16(3)4/h5,7-8,11,13H,6,9-10H2,1-4H3
InChIKeyAXMQDKYJDBXLDW-UHFFFAOYSA-N
XLogP2.67
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(3-methylphenyl)ethanesulfinic acid
CID 156519062
N,N-dimethyl-2-[[(1R)-1-(3-methylphenyl)ethyl]amino]acetamide
CID 81361311
(1R)-1-(3-methylphenyl)ethanesulfinate
CID 156519254
tert-butyl-[4-(dimethylamino)-1-(3-methylphenyl)-4-oxobutyl]carbamic acid
CID 69247006
4-[3-(1-hydroxyethyl)phenyl]sulfanyl-N,N-dimethylbutanamide
CID 64667036
N,N-dimethyl-3-(3-methylphenoxy)propanamide
CID 60637097
N,N-dimethyl-2-[4-[(1R)-1-(3-methylphenyl)ethyl]-1,4-diazepan-1-yl]acetamide
CID 95899527
ethyl (2S)-2-(3-methylphenyl)propanoate
CID 14891800
N-methyl-2-[[(1R)-1-(3-methylphenyl)ethyl]amino]-N-propan-2-ylacetamide
CID 81360695
N,N-dimethyl-4-[[(1S)-1-phenylethyl]amino]butanamide
CID 63868541
4-(dimethylamino)-3-(3-methylphenyl)butan-2-one
CID 57465216
3-[(3-methylphenyl)methylsulfinyl]butan-2-one
CID 64637393

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[1-(3-methylphenyl)ethylsulfinyl]butanamide?
The IUPAC name of N,N-dimethyl-4-[1-(3-methylphenyl)ethylsulfinyl]butanamide (CID 75380074) is N,N-dimethyl-4-[1-(3-methylphenyl)ethylsulfinyl]butanamide.
What is the SMILES notation for N,N-dimethyl-4-[1-(3-methylphenyl)ethylsulfinyl]butanamide?
The canonical SMILES for N,N-dimethyl-4-[1-(3-methylphenyl)ethylsulfinyl]butanamide is Cc1cccc(C(C)S(=O)CCCC(=O)N(C)C)c1.
What is the InChIKey of N,N-dimethyl-4-[1-(3-methylphenyl)ethylsulfinyl]butanamide?
The InChIKey is AXMQDKYJDBXLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-12-7-5-8-14(11-12)13(2)19(18)10-6-9-15(17)16(3)4/h5,7-8,11,13H,6,9-10H2,1-4H3.
What are the key properties of N,N-dimethyl-4-[1-(3-methylphenyl)ethylsulfinyl]butanamide?
N,N-dimethyl-4-[1-(3-methylphenyl)ethylsulfinyl]butanamide has a molecular weight of 281.42 g/mol, XLogP of 2.67, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[1-(3-methylphenyl)ethylsulfinyl]butanamide is sourced from PubChem (CID 75380074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).