N-(1-hydroxy-4-methylpentan-3-yl)-2-(propylsulfonylamino)propanamide

C12H26N2O4S — CID 103782266

IUPACN-(1-hydroxy-4-methylpentan-3-yl)-2-(propylsulfonylamino)propanamide
SMILESCCCS(=O)(=O)NC(C)C(=O)NC(CCO)C(C)C
InChIInChI=1S/C12H26N2O4S/c1-5-8-19(17,18)14-10(4)12(16)13-11(6-7-15)9(2)3/h9-11,14-15H,5-8H2,1-4H3,(H,13,16)
InChIKeyYAMJYWNODITJAH-UHFFFAOYSA-N
MW294.42 g/mol
LogP0.23
Rot. Bonds9

About N-(1-hydroxy-4-methylpentan-3-yl)-2-(propylsulfonylamino)propanamide

N-(1-hydroxy-4-methylpentan-3-yl)-2-(propylsulfonylamino)propanamide (PubChem CID 103782266) has the molecular formula C12H26N2O4S and a molecular weight of 294.42 g/mol. Its IUPAC name is N-(1-hydroxy-4-methylpentan-3-yl)-2-(propylsulfonylamino)propanamide.

Molecular Properties

Compound NameN-(1-hydroxy-4-methylpentan-3-yl)-2-(propylsulfonylamino)propanamide
PubChem CID103782266
Molecular FormulaC12H26N2O4S
Molecular Weight294.42 g/mol
Exact Mass294.16
IUPAC NameN-(1-hydroxy-4-methylpentan-3-yl)-2-(propylsulfonylamino)propanamide
SMILESCCCS(=O)(=O)NC(C)C(=O)NC(CCO)C(C)C
InChIInChI=1S/C12H26N2O4S/c1-5-8-19(17,18)14-10(4)12(16)13-11(6-7-15)9(2)3/h9-11,14-15H,5-8H2,1-4H3,(H,13,16)
InChIKeyYAMJYWNODITJAH-UHFFFAOYSA-N
XLogP0.23
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxyethyl)-2-(propylsulfonylamino)propanamide
CID 43416219
3-methyl-2-[2-(propylsulfonylamino)propanoylamino]butanoic acid
CID 43354101
(2S)-2-(propylsulfonylamino)propanoic acid
CID 7130952
(2S)-2-[2-(propylsulfonylamino)propanoylamino]pentanedioic acid
CID 61153628
4-methylsulfanyl-2-[2-(propylsulfonylamino)propanoylamino]butanoic acid
CID 43170236
N-[(2R)-2-hydroxypropyl]-2-(propylsulfonylamino)propanamide
CID 83032343
N-[3-(hydroxymethyl)pentan-3-yl]-2-(propylsulfonylamino)propanamide
CID 55082542
2-cyclopropyl-2-[2-(propylsulfonylamino)propanoylamino]acetic acid
CID 62697454
N-(2-methylpentan-3-yl)propane-1-sulfonamide
CID 61481422
N-(2-methoxyethoxy)-2-(propylsulfonylamino)propanamide
CID 79675663
N-(1-hydroxy-4-methylpentan-3-yl)-3,3-dimethylbutane-1-sulfonamide
CID 111466258
N-(1-hydroxy-4-methylpentan-3-yl)-3-methylsulfonylpropanamide
CID 103852371

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4-methylpentan-3-yl)-2-(propylsulfonylamino)propanamide?
The IUPAC name of N-(1-hydroxy-4-methylpentan-3-yl)-2-(propylsulfonylamino)propanamide (CID 103782266) is N-(1-hydroxy-4-methylpentan-3-yl)-2-(propylsulfonylamino)propanamide.
What is the SMILES notation for N-(1-hydroxy-4-methylpentan-3-yl)-2-(propylsulfonylamino)propanamide?
The canonical SMILES for N-(1-hydroxy-4-methylpentan-3-yl)-2-(propylsulfonylamino)propanamide is CCCS(=O)(=O)NC(C)C(=O)NC(CCO)C(C)C.
What is the InChIKey of N-(1-hydroxy-4-methylpentan-3-yl)-2-(propylsulfonylamino)propanamide?
The InChIKey is YAMJYWNODITJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O4S/c1-5-8-19(17,18)14-10(4)12(16)13-11(6-7-15)9(2)3/h9-11,14-15H,5-8H2,1-4H3,(H,13,16).
What are the key properties of N-(1-hydroxy-4-methylpentan-3-yl)-2-(propylsulfonylamino)propanamide?
N-(1-hydroxy-4-methylpentan-3-yl)-2-(propylsulfonylamino)propanamide has a molecular weight of 294.42 g/mol, XLogP of 0.23, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-4-methylpentan-3-yl)-2-(propylsulfonylamino)propanamide is sourced from PubChem (CID 103782266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).