N-[1-(dimethylamino)propan-2-yl]-4-methylbenzenesulfinamide;ethane

C14H26N2OS — CID 142604034

IUPACN-[1-(dimethylamino)propan-2-yl]-4-methylbenzenesulfinamide;ethane
SMILESCC.Cc1ccc(S(=O)NC(C)CN(C)C)cc1
InChIInChI=1S/C12H20N2OS.C2H6/c1-10-5-7-12(8-6-10)16(15)13-11(2)9-14(3)4;1-2/h5-8,11,13H,9H2,1-4H3;1-2H3
InChIKeySVGHXMAISRKHJV-UHFFFAOYSA-N
MW270.44 g/mol
LogP2.58
Rot. Bonds5

About N-[1-(dimethylamino)propan-2-yl]-4-methylbenzenesulfinamide;ethane

N-[1-(dimethylamino)propan-2-yl]-4-methylbenzenesulfinamide;ethane (PubChem CID 142604034) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is N-[1-(dimethylamino)propan-2-yl]-4-methylbenzenesulfinamide;ethane.

Molecular Properties

Compound NameN-[1-(dimethylamino)propan-2-yl]-4-methylbenzenesulfinamide;ethane
PubChem CID142604034
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC NameN-[1-(dimethylamino)propan-2-yl]-4-methylbenzenesulfinamide;ethane
SMILESCC.Cc1ccc(S(=O)NC(C)CN(C)C)cc1
InChIInChI=1S/C12H20N2OS.C2H6/c1-10-5-7-12(8-6-10)16(15)13-11(2)9-14(3)4;1-2/h5-8,11,13H,9H2,1-4H3;1-2H3
InChIKeySVGHXMAISRKHJV-UHFFFAOYSA-N
XLogP2.58
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-(dimethylamino)propan-2-yl]-4-methylbenzenesulfinamide;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-N-[1-(methylamino)propan-2-yl]benzenesulfinamide
CID 142604028
(2R,3S)-N-methoxy-N,2-dimethyl-3-[(4-methylphenyl)sulfinylamino]pentanamide
CID 102085256
benzenesulfinylbenzene;ethane;1-N,1-N,2-N-trimethylpropane-1,2-diamine
CID 145028972
4-methyl-N-[(1R)-2,2,2-trifluoro-1-(4-methylphenyl)ethyl]benzenesulfinamide
CID 102397854
(S)-N-[(1R,2S)-1-dimethoxyphosphoryl-2-hydroxypropyl]-4-methylbenzenesulfinamide
CID 11067199
N-methyl-5-(4-methylphenyl)sulfinylpentan-2-amine
CID 64658081
N,N-dimethyl-2-(4-methylphenyl)propan-1-amine
CID 143373779
ethane;1-methyl-4-(4-methylphenyl)sulfinylbenzene
CID 91610736
(3S)-N-methoxy-N-methyl-3-[[(S)-(4-methylphenyl)sulfinyl]amino]hexanamide
CID 11174421
4-methyl-N-[(1S)-4,4,4-trifluoro-1-isocyano-2-(2,2,2-trifluoroethyl)butyl]benzenesulfinamide
CID 87453192
ethyl (3S)-2,2-difluoro-4-methyl-3-[[(S)-(4-methylphenyl)sulfinyl]amino]pentanoate
CID 11088911
N-[(2S)-1-cyano-1,1-diphenylpropan-2-yl]-4-methylbenzenesulfinamide
CID 69078981

Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)propan-2-yl]-4-methylbenzenesulfinamide;ethane?
The IUPAC name of N-[1-(dimethylamino)propan-2-yl]-4-methylbenzenesulfinamide;ethane (CID 142604034) is N-[1-(dimethylamino)propan-2-yl]-4-methylbenzenesulfinamide;ethane.
What is the SMILES notation for N-[1-(dimethylamino)propan-2-yl]-4-methylbenzenesulfinamide;ethane?
The canonical SMILES for N-[1-(dimethylamino)propan-2-yl]-4-methylbenzenesulfinamide;ethane is CC.Cc1ccc(S(=O)NC(C)CN(C)C)cc1.
What is the InChIKey of N-[1-(dimethylamino)propan-2-yl]-4-methylbenzenesulfinamide;ethane?
The InChIKey is SVGHXMAISRKHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS.C2H6/c1-10-5-7-12(8-6-10)16(15)13-11(2)9-14(3)4;1-2/h5-8,11,13H,9H2,1-4H3;1-2H3.
What are the key properties of N-[1-(dimethylamino)propan-2-yl]-4-methylbenzenesulfinamide;ethane?
N-[1-(dimethylamino)propan-2-yl]-4-methylbenzenesulfinamide;ethane has a molecular weight of 270.44 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)propan-2-yl]-4-methylbenzenesulfinamide;ethane is sourced from PubChem (CID 142604034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).