N-[(1-hydroxycyclopentyl)methyl]-2-methylsulfonylpropanamide

C10H19NO4S — CID 115626883

IUPACN-[(1-hydroxycyclopentyl)methyl]-2-methylsulfonylpropanamide
SMILESCC(C(=O)NCC1(O)CCCC1)S(C)(=O)=O
InChIInChI=1S/C10H19NO4S/c1-8(16(2,14)15)9(12)11-7-10(13)5-3-4-6-10/h8,13H,3-7H2,1-2H3,(H,11,12)
InChIKeyQCOGFZKUMJJKQY-UHFFFAOYSA-N
MW249.33 g/mol
LogP-0.16
Rot. Bonds4

About N-[(1-hydroxycyclopentyl)methyl]-2-methylsulfonylpropanamide

N-[(1-hydroxycyclopentyl)methyl]-2-methylsulfonylpropanamide (PubChem CID 115626883) has the molecular formula C10H19NO4S and a molecular weight of 249.33 g/mol. Its IUPAC name is N-[(1-hydroxycyclopentyl)methyl]-2-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclopentyl)methyl]-2-methylsulfonylpropanamide
PubChem CID115626883
Molecular FormulaC10H19NO4S
Molecular Weight249.33 g/mol
Exact Mass249.10
IUPAC NameN-[(1-hydroxycyclopentyl)methyl]-2-methylsulfonylpropanamide
SMILESCC(C(=O)NCC1(O)CCCC1)S(C)(=O)=O
InChIInChI=1S/C10H19NO4S/c1-8(16(2,14)15)9(12)11-7-10(13)5-3-4-6-10/h8,13H,3-7H2,1-2H3,(H,11,12)
InChIKeyQCOGFZKUMJJKQY-UHFFFAOYSA-N
XLogP-0.16
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methylsulfonylpropanamide
CID 112695770
N-[(1-hydroxycyclohexyl)methyl]-2-methylpropanamide
CID 58767519
2-chloro-N-[(1-hydroxycyclopentyl)methyl]propanamide
CID 65105224
2-amino-N-[(1-hydroxycyclopentyl)methyl]-4-methylsulfonylbutanamide
CID 65106258
(2S)-2-(dimethylamino)-N-[(1-hydroxycyclopentyl)methyl]propanamide
CID 111840753
4-[(1-hydroxycyclohexyl)methylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103498630
3-amino-N-[(1-hydroxycyclohexyl)methyl]-2-methylpropanamide
CID 65106819
(2S)-2-amino-N-[(1-hydroxycyclohexyl)methyl]-3-methylbutanamide
CID 65106150
2-ethoxy-N-[(1-hydroxycyclopentyl)methyl]propanamide
CID 111331443
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-methylsulfonylpropanamide
CID 107302161
2-amino-N-[(1-hydroxycyclopentyl)methyl]-3,3-dimethylbutanamide
CID 77210747
(2R)-N-[[1-(3-methylphenyl)cyclopentyl]methyl]-2-methylsulfonylpropanamide
CID 95322111

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclopentyl)methyl]-2-methylsulfonylpropanamide?
The IUPAC name of N-[(1-hydroxycyclopentyl)methyl]-2-methylsulfonylpropanamide (CID 115626883) is N-[(1-hydroxycyclopentyl)methyl]-2-methylsulfonylpropanamide.
What is the SMILES notation for N-[(1-hydroxycyclopentyl)methyl]-2-methylsulfonylpropanamide?
The canonical SMILES for N-[(1-hydroxycyclopentyl)methyl]-2-methylsulfonylpropanamide is CC(C(=O)NCC1(O)CCCC1)S(C)(=O)=O.
What is the InChIKey of N-[(1-hydroxycyclopentyl)methyl]-2-methylsulfonylpropanamide?
The InChIKey is QCOGFZKUMJJKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4S/c1-8(16(2,14)15)9(12)11-7-10(13)5-3-4-6-10/h8,13H,3-7H2,1-2H3,(H,11,12).
What are the key properties of N-[(1-hydroxycyclopentyl)methyl]-2-methylsulfonylpropanamide?
N-[(1-hydroxycyclopentyl)methyl]-2-methylsulfonylpropanamide has a molecular weight of 249.33 g/mol, XLogP of -0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclopentyl)methyl]-2-methylsulfonylpropanamide is sourced from PubChem (CID 115626883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).