N-(1-amino-2-methylpropan-2-yl)-2-phenyl-N-propylethanesulfonamide

C15H26N2O2S — CID 80686235

IUPACN-(1-amino-2-methylpropan-2-yl)-2-phenyl-N-propylethanesulfonamide
SMILESCCCN(C(C)(C)CN)S(=O)(=O)CCc1ccccc1
InChIInChI=1S/C15H26N2O2S/c1-4-11-17(15(2,3)13-16)20(18,19)12-10-14-8-6-5-7-9-14/h5-9H,4,10-13,16H2,1-3H3
InChIKeyLMOYXRLGDKPODL-UHFFFAOYSA-N
MW298.45 g/mol
LogP2.01
Rot. Bonds8

About N-(1-amino-2-methylpropan-2-yl)-2-phenyl-N-propylethanesulfonamide

N-(1-amino-2-methylpropan-2-yl)-2-phenyl-N-propylethanesulfonamide (PubChem CID 80686235) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-2-phenyl-N-propylethanesulfonamide.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-2-phenyl-N-propylethanesulfonamide
PubChem CID80686235
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-2-phenyl-N-propylethanesulfonamide
SMILESCCCN(C(C)(C)CN)S(=O)(=O)CCc1ccccc1
InChIInChI=1S/C15H26N2O2S/c1-4-11-17(15(2,3)13-16)20(18,19)12-10-14-8-6-5-7-9-14/h5-9H,4,10-13,16H2,1-3H3
InChIKeyLMOYXRLGDKPODL-UHFFFAOYSA-N
XLogP2.01
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-2-phenyl-N-propylethanesulfonamide
CID 79664110
N-[3-(aminomethyl)pentan-3-yl]-N-methyl-2-phenylethanesulfonamide
CID 80686528
N-(1-amino-2-methylpropan-2-yl)-2-ethoxy-N-propylethanesulfonamide
CID 55175655
N-(1-amino-2-methylpropan-2-yl)-1-methylsulfonyl-N-propylmethanesulfonamide
CID 82840218
2-N,2-dimethyl-2-N-(2-phenylethyl)propane-1,2-diamine
CID 28759347
N-(2-aminoethyl)-N-(2-phenylethyl)ethanesulfonamide
CID 120895596
N-(2,2-dimethylpropyl)-N-methyl-2-phenylethanesulfonamide
CID 110669403
N-(1-amino-2-methylpropan-2-yl)-2-phenylethanesulfonamide
CID 63194224
N'-(2-phenylethyl)-N'-(2-propylsulfonylethyl)ethane-1,2-diamine
CID 120871732
N-[2-(aminomethyl)phenyl]-N-methyl-2-phenylethanesulfonamide
CID 80690978
N'-(2-ethylsulfonylethyl)-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
CID 120871608
N-[2-(aminomethyl)-2-ethylbutyl]-2-phenylethanesulfonamide
CID 106251290

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-2-phenyl-N-propylethanesulfonamide?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-2-phenyl-N-propylethanesulfonamide (CID 80686235) is N-(1-amino-2-methylpropan-2-yl)-2-phenyl-N-propylethanesulfonamide.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-2-phenyl-N-propylethanesulfonamide?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-2-phenyl-N-propylethanesulfonamide is CCCN(C(C)(C)CN)S(=O)(=O)CCc1ccccc1.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-2-phenyl-N-propylethanesulfonamide?
The InChIKey is LMOYXRLGDKPODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-4-11-17(15(2,3)13-16)20(18,19)12-10-14-8-6-5-7-9-14/h5-9H,4,10-13,16H2,1-3H3.
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-2-phenyl-N-propylethanesulfonamide?
N-(1-amino-2-methylpropan-2-yl)-2-phenyl-N-propylethanesulfonamide has a molecular weight of 298.45 g/mol, XLogP of 2.01, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-2-phenyl-N-propylethanesulfonamide is sourced from PubChem (CID 80686235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).