N'-cyclohexyl-N'-(2-methylsulfonylphenyl)propane-1,3-diamine

C16H26N2O2S — CID 60870635

IUPACN'-cyclohexyl-N'-(2-methylsulfonylphenyl)propane-1,3-diamine
SMILESCS(=O)(=O)c1ccccc1N(CCCN)C1CCCCC1
InChIInChI=1S/C16H26N2O2S/c1-21(19,20)16-11-6-5-10-15(16)18(13-7-12-17)14-8-3-2-4-9-14/h5-6,10-11,14H,2-4,7-9,12-13,17H2,1H3
InChIKeyIIJPHXSGUWRBLK-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.58
Rot. Bonds6

About N'-cyclohexyl-N'-(2-methylsulfonylphenyl)propane-1,3-diamine

N'-cyclohexyl-N'-(2-methylsulfonylphenyl)propane-1,3-diamine (PubChem CID 60870635) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is N'-cyclohexyl-N'-(2-methylsulfonylphenyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclohexyl-N'-(2-methylsulfonylphenyl)propane-1,3-diamine
PubChem CID60870635
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC NameN'-cyclohexyl-N'-(2-methylsulfonylphenyl)propane-1,3-diamine
SMILESCS(=O)(=O)c1ccccc1N(CCCN)C1CCCCC1
InChIInChI=1S/C16H26N2O2S/c1-21(19,20)16-11-6-5-10-15(16)18(13-7-12-17)14-8-3-2-4-9-14/h5-6,10-11,14H,2-4,7-9,12-13,17H2,1H3
InChIKeyIIJPHXSGUWRBLK-UHFFFAOYSA-N
XLogP2.58
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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N-(2-bromoethyl)-N-cyclopentyl-2-methylsulfonylaniline
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N'-cyclohexyl-N'-(2-ethylsulfonylphenyl)ethane-1,2-diamine
CID 63765668
N-(2-chloroethyl)-N-cyclohexyl-2-ethylsulfonylaniline
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CID 63759021
2-[2-aminoethyl(cyclobutyl)amino]-N-propylbenzenesulfonamide
CID 102874822
N-cyclopropyl-2-methylsulfonyl-N-(piperidin-2-ylmethyl)aniline
CID 106641104
N-(3-chloropropyl)-N-cyclobutyl-2-propylsulfonylaniline
CID 102871385
N'-(2-fluorophenyl)-N'-(4-methylcyclohexyl)propane-1,3-diamine
CID 64750042
N'-(4-methylcyclohexyl)-N'-(2-methylphenyl)propane-1,3-diamine
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2-(2-amino-N-cyclopropyl-3-methylsulfonylanilino)ethanol
CID 82002580

Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-N'-(2-methylsulfonylphenyl)propane-1,3-diamine?
The IUPAC name of N'-cyclohexyl-N'-(2-methylsulfonylphenyl)propane-1,3-diamine (CID 60870635) is N'-cyclohexyl-N'-(2-methylsulfonylphenyl)propane-1,3-diamine.
What is the SMILES notation for N'-cyclohexyl-N'-(2-methylsulfonylphenyl)propane-1,3-diamine?
The canonical SMILES for N'-cyclohexyl-N'-(2-methylsulfonylphenyl)propane-1,3-diamine is CS(=O)(=O)c1ccccc1N(CCCN)C1CCCCC1.
What is the InChIKey of N'-cyclohexyl-N'-(2-methylsulfonylphenyl)propane-1,3-diamine?
The InChIKey is IIJPHXSGUWRBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-21(19,20)16-11-6-5-10-15(16)18(13-7-12-17)14-8-3-2-4-9-14/h5-6,10-11,14H,2-4,7-9,12-13,17H2,1H3.
What are the key properties of N'-cyclohexyl-N'-(2-methylsulfonylphenyl)propane-1,3-diamine?
N'-cyclohexyl-N'-(2-methylsulfonylphenyl)propane-1,3-diamine has a molecular weight of 310.46 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-N'-(2-methylsulfonylphenyl)propane-1,3-diamine is sourced from PubChem (CID 60870635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).