N-methyl-N-(2-methylsulfonylethyl)-2-[1-(propylamino)propyl]aniline

C16H28N2O2S — CID 115995349

IUPACN-methyl-N-(2-methylsulfonylethyl)-2-[1-(propylamino)propyl]aniline
SMILESCCCNC(CC)c1ccccc1N(C)CCS(C)(=O)=O
InChIInChI=1S/C16H28N2O2S/c1-5-11-17-15(6-2)14-9-7-8-10-16(14)18(3)12-13-21(4,19)20/h7-10,15,17H,5-6,11-13H2,1-4H3
InChIKeyMDJBEXNRRYVDLS-UHFFFAOYSA-N
MW312.48 g/mol
LogP2.62
Rot. Bonds9

About N-methyl-N-(2-methylsulfonylethyl)-2-[1-(propylamino)propyl]aniline

N-methyl-N-(2-methylsulfonylethyl)-2-[1-(propylamino)propyl]aniline (PubChem CID 115995349) has the molecular formula C16H28N2O2S and a molecular weight of 312.48 g/mol. Its IUPAC name is N-methyl-N-(2-methylsulfonylethyl)-2-[1-(propylamino)propyl]aniline.

Molecular Properties

Compound NameN-methyl-N-(2-methylsulfonylethyl)-2-[1-(propylamino)propyl]aniline
PubChem CID115995349
Molecular FormulaC16H28N2O2S
Molecular Weight312.48 g/mol
Exact Mass312.19
IUPAC NameN-methyl-N-(2-methylsulfonylethyl)-2-[1-(propylamino)propyl]aniline
SMILESCCCNC(CC)c1ccccc1N(C)CCS(C)(=O)=O
InChIInChI=1S/C16H28N2O2S/c1-5-11-17-15(6-2)14-9-7-8-10-16(14)18(3)12-13-21(4,19)20/h7-10,15,17H,5-6,11-13H2,1-4H3
InChIKeyMDJBEXNRRYVDLS-UHFFFAOYSA-N
XLogP2.62
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N,N'-trimethyl-N'-[2-[1-(propylamino)propyl]phenyl]ethane-1,2-diamine
CID 115995247
N-(3-methoxypropyl)-N-methyl-2-[1-(propylamino)propyl]aniline
CID 115995187
N-(cyclopropylmethyl)-N-methyl-2-[1-(propylamino)propyl]aniline
CID 112677945
N-butan-2-yl-N-methyl-2-[1-(propylamino)propyl]aniline
CID 112677858
N-methyl-2-[1-(propylamino)propyl]-N-(thiophen-2-ylmethyl)aniline
CID 115994862
2-[1-(2-methylsulfonylethylamino)propyl]phenol
CID 54931599
1-(2-bromophenyl)-3-methylsulfonyl-N-propylpropan-1-amine
CID 55093898
1-(2-ethylphenyl)-4-methylsulfonyl-N-propylbutan-1-amine
CID 115820254
N-cyclopropyl-N-ethyl-2-[1-(propylamino)propyl]aniline
CID 112677823
1-[N-ethyl-2-[1-(propylamino)propyl]anilino]-2-methylpropan-2-ol
CID 115995337
N-cyclopropyl-N-(2-methoxyethyl)-2-[1-(propylamino)propyl]aniline
CID 115995005
1-(2-methoxyphenyl)-N-propylpropan-1-amine
CID 43279174

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylsulfonylethyl)-2-[1-(propylamino)propyl]aniline?
The IUPAC name of N-methyl-N-(2-methylsulfonylethyl)-2-[1-(propylamino)propyl]aniline (CID 115995349) is N-methyl-N-(2-methylsulfonylethyl)-2-[1-(propylamino)propyl]aniline.
What is the SMILES notation for N-methyl-N-(2-methylsulfonylethyl)-2-[1-(propylamino)propyl]aniline?
The canonical SMILES for N-methyl-N-(2-methylsulfonylethyl)-2-[1-(propylamino)propyl]aniline is CCCNC(CC)c1ccccc1N(C)CCS(C)(=O)=O.
What is the InChIKey of N-methyl-N-(2-methylsulfonylethyl)-2-[1-(propylamino)propyl]aniline?
The InChIKey is MDJBEXNRRYVDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2S/c1-5-11-17-15(6-2)14-9-7-8-10-16(14)18(3)12-13-21(4,19)20/h7-10,15,17H,5-6,11-13H2,1-4H3.
What are the key properties of N-methyl-N-(2-methylsulfonylethyl)-2-[1-(propylamino)propyl]aniline?
N-methyl-N-(2-methylsulfonylethyl)-2-[1-(propylamino)propyl]aniline has a molecular weight of 312.48 g/mol, XLogP of 2.62, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylsulfonylethyl)-2-[1-(propylamino)propyl]aniline is sourced from PubChem (CID 115995349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).