2,4-dimethyl-2-N-(4-propylsulfonylphenyl)pentane-1,2-diamine

C16H28N2O2S — CID 115310185

IUPAC2,4-dimethyl-2-N-(4-propylsulfonylphenyl)pentane-1,2-diamine
SMILESCCCS(=O)(=O)c1ccc(NC(C)(CN)CC(C)C)cc1
InChIInChI=1S/C16H28N2O2S/c1-5-10-21(19,20)15-8-6-14(7-9-15)18-16(4,12-17)11-13(2)3/h6-9,13,18H,5,10-12,17H2,1-4H3
InChIKeyTULUPHNWXKMDDS-UHFFFAOYSA-N
MW312.48 g/mol
LogP3.05
Rot. Bonds8

About 2,4-dimethyl-2-N-(4-propylsulfonylphenyl)pentane-1,2-diamine

2,4-dimethyl-2-N-(4-propylsulfonylphenyl)pentane-1,2-diamine (PubChem CID 115310185) has the molecular formula C16H28N2O2S and a molecular weight of 312.48 g/mol. Its IUPAC name is 2,4-dimethyl-2-N-(4-propylsulfonylphenyl)pentane-1,2-diamine.

Molecular Properties

Compound Name2,4-dimethyl-2-N-(4-propylsulfonylphenyl)pentane-1,2-diamine
PubChem CID115310185
Molecular FormulaC16H28N2O2S
Molecular Weight312.48 g/mol
Exact Mass312.19
IUPAC Name2,4-dimethyl-2-N-(4-propylsulfonylphenyl)pentane-1,2-diamine
SMILESCCCS(=O)(=O)c1ccc(NC(C)(CN)CC(C)C)cc1
InChIInChI=1S/C16H28N2O2S/c1-5-10-21(19,20)15-8-6-14(7-9-15)18-16(4,12-17)11-13(2)3/h6-9,13,18H,5,10-12,17H2,1-4H3
InChIKeyTULUPHNWXKMDDS-UHFFFAOYSA-N
XLogP3.05
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-2,4-dimethylpentan-2-yl)-4-(propylsulfonylamino)benzamide
CID 119598442
N-(1-amino-2,4-dimethylpentan-2-yl)-4-ethylsulfonylbenzamide;hydrochloride
CID 119599904
3-N-(4-ethylsulfonylphenyl)-3-methylpentane-1,3-diamine
CID 106165647
4-methyl-1-(4-propylsulfonylanilino)pentan-2-ol
CID 107153331
N-(4-propylsulfonylphenyl)hydroxylamine
CID 130500550
N-(6-methylheptan-2-yl)-4-propylsulfonylaniline
CID 63540868
4-[(4-propylsulfonylanilino)methyl]aniline
CID 60874910
N-butyl-4-propylsulfonylaniline
CID 43453437
2,4-dimethyl-2-N-(2-methylsulfonylphenyl)pentane-1,2-diamine
CID 115310076
N-(2-chloroethyl)-4-propylsulfonylaniline
CID 65030404
N-(1-amino-2,4-dimethylpentan-2-yl)-2-propylsulfonylacetamide
CID 119597794
2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-N-ethylbenzenesulfonamide
CID 115310162

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-2-N-(4-propylsulfonylphenyl)pentane-1,2-diamine?
The IUPAC name of 2,4-dimethyl-2-N-(4-propylsulfonylphenyl)pentane-1,2-diamine (CID 115310185) is 2,4-dimethyl-2-N-(4-propylsulfonylphenyl)pentane-1,2-diamine.
What is the SMILES notation for 2,4-dimethyl-2-N-(4-propylsulfonylphenyl)pentane-1,2-diamine?
The canonical SMILES for 2,4-dimethyl-2-N-(4-propylsulfonylphenyl)pentane-1,2-diamine is CCCS(=O)(=O)c1ccc(NC(C)(CN)CC(C)C)cc1.
What is the InChIKey of 2,4-dimethyl-2-N-(4-propylsulfonylphenyl)pentane-1,2-diamine?
The InChIKey is TULUPHNWXKMDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2S/c1-5-10-21(19,20)15-8-6-14(7-9-15)18-16(4,12-17)11-13(2)3/h6-9,13,18H,5,10-12,17H2,1-4H3.
What are the key properties of 2,4-dimethyl-2-N-(4-propylsulfonylphenyl)pentane-1,2-diamine?
2,4-dimethyl-2-N-(4-propylsulfonylphenyl)pentane-1,2-diamine has a molecular weight of 312.48 g/mol, XLogP of 3.05, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-2-N-(4-propylsulfonylphenyl)pentane-1,2-diamine is sourced from PubChem (CID 115310185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).