N-[(2R)-2-hydroxypropyl]-2-(propylsulfonylamino)propanamide

C9H20N2O4S — CID 83032343

IUPACN-[(2R)-2-hydroxypropyl]-2-(propylsulfonylamino)propanamide
SMILESCCCS(=O)(=O)NC(C)C(=O)NC[C@@H](C)O
InChIInChI=1S/C9H20N2O4S/c1-4-5-16(14,15)11-8(3)9(13)10-6-7(2)12/h7-8,11-12H,4-6H2,1-3H3,(H,10,13)/t7-,8?/m1/s1
InChIKeyLSRPEXKGVNGUKP-GVHYBUMESA-N
MW252.34 g/mol
LogP-0.80
Rot. Bonds7

About N-[(2R)-2-hydroxypropyl]-2-(propylsulfonylamino)propanamide

N-[(2R)-2-hydroxypropyl]-2-(propylsulfonylamino)propanamide (PubChem CID 83032343) has the molecular formula C9H20N2O4S and a molecular weight of 252.34 g/mol. Its IUPAC name is N-[(2R)-2-hydroxypropyl]-2-(propylsulfonylamino)propanamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxypropyl]-2-(propylsulfonylamino)propanamide
PubChem CID83032343
Molecular FormulaC9H20N2O4S
Molecular Weight252.34 g/mol
Exact Mass252.11
IUPAC NameN-[(2R)-2-hydroxypropyl]-2-(propylsulfonylamino)propanamide
SMILESCCCS(=O)(=O)NC(C)C(=O)NC[C@@H](C)O
InChIInChI=1S/C9H20N2O4S/c1-4-5-16(14,15)11-8(3)9(13)10-6-7(2)12/h7-8,11-12H,4-6H2,1-3H3,(H,10,13)/t7-,8?/m1/s1
InChIKeyLSRPEXKGVNGUKP-GVHYBUMESA-N
XLogP-0.80
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 5-0.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-hydroxy-3-[2-(propylsulfonylamino)propanoylamino]propanoic acid
CID 107833554
N-(2-hydroxyethyl)-2-(propylsulfonylamino)propanamide
CID 43416219
N-(3-hydroxy-4-methoxybutyl)-2-(propylsulfonylamino)propanamide
CID 103877484
2-(2-chloroethylsulfonylamino)-N-propylpropanamide
CID 107651325
2-[[2-[2-(propylsulfonylamino)propanoylamino]acetyl]amino]acetic acid
CID 43465477
(2S)-2-(propylsulfonylamino)propanoic acid
CID 7130952
N-(2-methoxyethoxy)-2-(propylsulfonylamino)propanamide
CID 79675663
2-(4-aminobutylsulfonylamino)-N-(2-methylpropyl)propanamide
CID 113406861
3-methyl-2-[2-(propylsulfonylamino)propanoylamino]butanoic acid
CID 43354101
2-(3-aminopropylsulfonylamino)-N-ethylpropanamide
CID 61480140
N-[3-(hydroxymethyl)pentan-3-yl]-2-(propylsulfonylamino)propanamide
CID 55082542
N-[(2S)-2-hydroxypropyl]-2-propylpentanamide
CID 10058650

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxypropyl]-2-(propylsulfonylamino)propanamide?
The IUPAC name of N-[(2R)-2-hydroxypropyl]-2-(propylsulfonylamino)propanamide (CID 83032343) is N-[(2R)-2-hydroxypropyl]-2-(propylsulfonylamino)propanamide.
What is the SMILES notation for N-[(2R)-2-hydroxypropyl]-2-(propylsulfonylamino)propanamide?
The canonical SMILES for N-[(2R)-2-hydroxypropyl]-2-(propylsulfonylamino)propanamide is CCCS(=O)(=O)NC(C)C(=O)NC[C@@H](C)O.
What is the InChIKey of N-[(2R)-2-hydroxypropyl]-2-(propylsulfonylamino)propanamide?
The InChIKey is LSRPEXKGVNGUKP-GVHYBUMESA-N. The full InChI is InChI=1S/C9H20N2O4S/c1-4-5-16(14,15)11-8(3)9(13)10-6-7(2)12/h7-8,11-12H,4-6H2,1-3H3,(H,10,13)/t7-,8?/m1/s1.
What are the key properties of N-[(2R)-2-hydroxypropyl]-2-(propylsulfonylamino)propanamide?
N-[(2R)-2-hydroxypropyl]-2-(propylsulfonylamino)propanamide has a molecular weight of 252.34 g/mol, XLogP of -0.80, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxypropyl]-2-(propylsulfonylamino)propanamide is sourced from PubChem (CID 83032343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).