N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methylsulfonylpropanamide

C9H19NO4S2 — CID 103711874

IUPACN-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methylsulfonylpropanamide
SMILESCSCC(C)(O)CNC(=O)CCS(C)(=O)=O
InChIInChI=1S/C9H19NO4S2/c1-9(12,7-15-2)6-10-8(11)4-5-16(3,13)14/h12H,4-7H2,1-3H3,(H,10,11)
InChIKeyVZKKMUNGMWWQAU-UHFFFAOYSA-N
MW269.39 g/mol
LogP-0.35
Rot. Bonds7

About N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methylsulfonylpropanamide

N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methylsulfonylpropanamide (PubChem CID 103711874) has the molecular formula C9H19NO4S2 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methylsulfonylpropanamide
PubChem CID103711874
Molecular FormulaC9H19NO4S2
Molecular Weight269.39 g/mol
Exact Mass269.08
IUPAC NameN-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methylsulfonylpropanamide
SMILESCSCC(C)(O)CNC(=O)CCS(C)(=O)=O
InChIInChI=1S/C9H19NO4S2/c1-9(12,7-15-2)6-10-8(11)4-5-16(3,13)14/h12H,4-7H2,1-3H3,(H,10,11)
InChIKeyVZKKMUNGMWWQAU-UHFFFAOYSA-N
XLogP-0.35
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxypropyl)-4-methylsulfonylbutanamide
CID 84321558
4-Methylsulfanyl-1-(2-methylsulfonylethylamino)-1-oxobutane-2-sulfonic acid
CID 118362328
2-hydroxy-N,2-dimethyl-3-methylsulfonylpropanamide
CID 129013536
(2R)-2-hydroxy-N,2-dimethyl-3-methylsulfonylpropanamide
CID 129013537
1-(2-Methylpropylamino)-1-oxo-3-propan-2-ylsulfanylpropane-2-sulfonic acid
CID 140889389
4-Methylsulfanyl-1-oxo-1-(propylamino)butane-2-sulfonic acid
CID 148151115
2-methyl-N-[2-(2-oxopropylsulfonyl)ethyl]propanamide
CID 169987153
N-(2-methoxy-2-methylpropyl)-3-methylsulfonylpropanamide
CID 176706435
2-hydroxy-2-methyl-N-propan-2-yl-3-propan-2-ylsulfonylpropanamide
CID 177122851
2-hydroxy-2-methyl-3-methylsulfonyl-N-propan-2-ylpropanamide
CID 177122893
2-Methyl-1-[3-[3-[(2-methyl-2-sulfinatopropanoyl)amino]propylsulfanyl]propylamino]-1-oxopropane-2-sulfinate
CID 12131521
N-(2-hydroxyethyl)-3-methylsulfonylpropanamide
CID 43428051

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methylsulfonylpropanamide?
The IUPAC name of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methylsulfonylpropanamide (CID 103711874) is N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methylsulfonylpropanamide.
What is the SMILES notation for N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methylsulfonylpropanamide?
The canonical SMILES for N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methylsulfonylpropanamide is CSCC(C)(O)CNC(=O)CCS(C)(=O)=O.
What is the InChIKey of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methylsulfonylpropanamide?
The InChIKey is VZKKMUNGMWWQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO4S2/c1-9(12,7-15-2)6-10-8(11)4-5-16(3,13)14/h12H,4-7H2,1-3H3,(H,10,11).
What are the key properties of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methylsulfonylpropanamide?
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methylsulfonylpropanamide has a molecular weight of 269.39 g/mol, XLogP of -0.35, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methylsulfonylpropanamide is sourced from PubChem (CID 103711874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).