1-(methylamino)-N-(2-methyl-4-phenylbutan-2-yl)propane-2-sulfonamide

C15H26N2O2S — CID 106079273

IUPAC1-(methylamino)-N-(2-methyl-4-phenylbutan-2-yl)propane-2-sulfonamide
SMILESCNCC(C)S(=O)(=O)NC(C)(C)CCc1ccccc1
InChIInChI=1S/C15H26N2O2S/c1-13(12-16-4)20(18,19)17-15(2,3)11-10-14-8-6-5-7-9-14/h5-9,13,16-17H,10-12H2,1-4H3
InChIKeyCDNSKKFFRDJZIP-UHFFFAOYSA-N
MW298.45 g/mol
LogP1.93
Rot. Bonds8

About 1-(methylamino)-N-(2-methyl-4-phenylbutan-2-yl)propane-2-sulfonamide

1-(methylamino)-N-(2-methyl-4-phenylbutan-2-yl)propane-2-sulfonamide (PubChem CID 106079273) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is 1-(methylamino)-N-(2-methyl-4-phenylbutan-2-yl)propane-2-sulfonamide.

Molecular Properties

Compound Name1-(methylamino)-N-(2-methyl-4-phenylbutan-2-yl)propane-2-sulfonamide
PubChem CID106079273
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC Name1-(methylamino)-N-(2-methyl-4-phenylbutan-2-yl)propane-2-sulfonamide
SMILESCNCC(C)S(=O)(=O)NC(C)(C)CCc1ccccc1
InChIInChI=1S/C15H26N2O2S/c1-13(12-16-4)20(18,19)17-15(2,3)11-10-14-8-6-5-7-9-14/h5-9,13,16-17H,10-12H2,1-4H3
InChIKeyCDNSKKFFRDJZIP-UHFFFAOYSA-N
XLogP1.93
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-N-(2-methyl-4-phenylbutan-2-yl)ethanesulfonamide
CID 113472600
N-(2-methyl-4-phenylbutan-2-yl)-1H-pyrazole-5-sulfonamide
CID 102693365
(2S)-2-amino-3-methyl-N-(2-methyl-4-phenylbutan-2-yl)butanamide
CID 104863039
5-methyl-N-(2-methyl-4-phenylbutan-2-yl)-1H-pyrazole-4-sulfonamide
CID 115621438
2-[(2-methyl-4-phenylbutan-2-yl)amino]ethanesulfonamide
CID 115690814
(2S)-N,2-dimethyl-4-phenylbutan-1-amine
CID 134172295
(2S)-2-amino-4-methyl-N-(2-methyl-4-phenylbutan-2-yl)pentanamide
CID 103832792
(2R)-4-methyl-6-phenylhexane-2,4-diamine
CID 70295340
2-amino-3-methyl-N-(2-methyl-4-phenylbutan-2-yl)pentanamide
CID 115753423
(2S)-1-(methylamino)-3-[(2-methyl-5-phenylpentan-2-yl)amino]propan-2-ol
CID 70658760
2-[(2-methyl-4-phenylbutan-2-yl)amino]-2-oxoacetic acid
CID 82129385
N-(2-iodophenyl)-1-(methylamino)propane-2-sulfonamide
CID 106030243

Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-N-(2-methyl-4-phenylbutan-2-yl)propane-2-sulfonamide?
The IUPAC name of 1-(methylamino)-N-(2-methyl-4-phenylbutan-2-yl)propane-2-sulfonamide (CID 106079273) is 1-(methylamino)-N-(2-methyl-4-phenylbutan-2-yl)propane-2-sulfonamide.
What is the SMILES notation for 1-(methylamino)-N-(2-methyl-4-phenylbutan-2-yl)propane-2-sulfonamide?
The canonical SMILES for 1-(methylamino)-N-(2-methyl-4-phenylbutan-2-yl)propane-2-sulfonamide is CNCC(C)S(=O)(=O)NC(C)(C)CCc1ccccc1.
What is the InChIKey of 1-(methylamino)-N-(2-methyl-4-phenylbutan-2-yl)propane-2-sulfonamide?
The InChIKey is CDNSKKFFRDJZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-13(12-16-4)20(18,19)17-15(2,3)11-10-14-8-6-5-7-9-14/h5-9,13,16-17H,10-12H2,1-4H3.
What are the key properties of 1-(methylamino)-N-(2-methyl-4-phenylbutan-2-yl)propane-2-sulfonamide?
1-(methylamino)-N-(2-methyl-4-phenylbutan-2-yl)propane-2-sulfonamide has a molecular weight of 298.45 g/mol, XLogP of 1.93, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-N-(2-methyl-4-phenylbutan-2-yl)propane-2-sulfonamide is sourced from PubChem (CID 106079273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).