(2R)-2-methylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide

C9H17NO4S — CID 94067063

IUPAC(2R)-2-methylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide
SMILESC[C@H](C(=O)NC[C@@H]1CCCO1)S(C)(=O)=O
InChIInChI=1S/C9H17NO4S/c1-7(15(2,12)13)9(11)10-6-8-4-3-5-14-8/h7-8H,3-6H2,1-2H3,(H,10,11)/t7-,8+/m1/s1
InChIKeyVFHYMOUJFAADID-SFYZADRCSA-N
MW235.30 g/mol
LogP-0.29
Rot. Bonds4

About (2R)-2-methylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide

(2R)-2-methylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide (PubChem CID 94067063) has the molecular formula C9H17NO4S and a molecular weight of 235.30 g/mol. Its IUPAC name is (2R)-2-methylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-methylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide
PubChem CID94067063
Molecular FormulaC9H17NO4S
Molecular Weight235.30 g/mol
Exact Mass235.09
IUPAC Name(2R)-2-methylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide
SMILESC[C@H](C(=O)NC[C@@H]1CCCO1)S(C)(=O)=O
InChIInChI=1S/C9H17NO4S/c1-7(15(2,12)13)9(11)10-6-8-4-3-5-14-8/h7-8H,3-6H2,1-2H3,(H,10,11)/t7-,8+/m1/s1
InChIKeyVFHYMOUJFAADID-SFYZADRCSA-N
XLogP-0.29
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 40531863
(2S)-2-amino-N-(oxolan-2-ylmethyl)propanamide
CID 61145996
2-amino-N-(oxolan-2-ylmethyl)propanamide
CID 24697469
(2R)-2-bromo-N-[[(2R)-oxolan-2-yl]methyl]butanamide
CID 94882952
(2S)-2-(2-chlorophenyl)sulfonyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 94027230
(2S)-N-[[(2S)-oxolan-2-yl]methyl]-2-(propanoylamino)propanamide
CID 94796972
(2S)-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 7473261
(2R)-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 124720005
(2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-pyridin-2-ylsulfonylpropanamide
CID 94027204
(2S)-2-amino-3-methyl-N-(oxolan-2-ylmethyl)pentanamide
CID 61174562
3-methyl-N-(oxolan-2-ylmethyl)butanamide
CID 3509797
2-methyl-N-(oxolan-2-ylmethylcarbamothioyl)propanamide
CID 19176066

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
The IUPAC name of (2R)-2-methylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide (CID 94067063) is (2R)-2-methylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide.
What is the SMILES notation for (2R)-2-methylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
The canonical SMILES for (2R)-2-methylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide is C[C@H](C(=O)NC[C@@H]1CCCO1)S(C)(=O)=O.
What is the InChIKey of (2R)-2-methylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
The InChIKey is VFHYMOUJFAADID-SFYZADRCSA-N. The full InChI is InChI=1S/C9H17NO4S/c1-7(15(2,12)13)9(11)10-6-8-4-3-5-14-8/h7-8H,3-6H2,1-2H3,(H,10,11)/t7-,8+/m1/s1.
What are the key properties of (2R)-2-methylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
(2R)-2-methylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide has a molecular weight of 235.30 g/mol, XLogP of -0.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide is sourced from PubChem (CID 94067063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).