N-[(1-hydroxycyclopentyl)methyl]-N-methyl-3-methylsulfonylpropanamide

C11H21NO4S — CID 115760608

IUPACN-[(1-hydroxycyclopentyl)methyl]-N-methyl-3-methylsulfonylpropanamide
SMILESCN(CC1(O)CCCC1)C(=O)CCS(C)(=O)=O
InChIInChI=1S/C11H21NO4S/c1-12(9-11(14)6-3-4-7-11)10(13)5-8-17(2,15)16/h14H,3-9H2,1-2H3
InChIKeyLMEJUIVNNAWMHV-UHFFFAOYSA-N
MW263.36 g/mol
LogP0.18
Rot. Bonds5

About N-[(1-hydroxycyclopentyl)methyl]-N-methyl-3-methylsulfonylpropanamide

N-[(1-hydroxycyclopentyl)methyl]-N-methyl-3-methylsulfonylpropanamide (PubChem CID 115760608) has the molecular formula C11H21NO4S and a molecular weight of 263.36 g/mol. Its IUPAC name is N-[(1-hydroxycyclopentyl)methyl]-N-methyl-3-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclopentyl)methyl]-N-methyl-3-methylsulfonylpropanamide
PubChem CID115760608
Molecular FormulaC11H21NO4S
Molecular Weight263.36 g/mol
Exact Mass263.12
IUPAC NameN-[(1-hydroxycyclopentyl)methyl]-N-methyl-3-methylsulfonylpropanamide
SMILESCN(CC1(O)CCCC1)C(=O)CCS(C)(=O)=O
InChIInChI=1S/C11H21NO4S/c1-12(9-11(14)6-3-4-7-11)10(13)5-8-17(2,15)16/h14H,3-9H2,1-2H3
InChIKeyLMEJUIVNNAWMHV-UHFFFAOYSA-N
XLogP0.18
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclopentyl)methyl]-N-methyl-3-methylsulfonylpropanamide?
The IUPAC name of N-[(1-hydroxycyclopentyl)methyl]-N-methyl-3-methylsulfonylpropanamide (CID 115760608) is N-[(1-hydroxycyclopentyl)methyl]-N-methyl-3-methylsulfonylpropanamide.
What is the SMILES notation for N-[(1-hydroxycyclopentyl)methyl]-N-methyl-3-methylsulfonylpropanamide?
The canonical SMILES for N-[(1-hydroxycyclopentyl)methyl]-N-methyl-3-methylsulfonylpropanamide is CN(CC1(O)CCCC1)C(=O)CCS(C)(=O)=O.
What is the InChIKey of N-[(1-hydroxycyclopentyl)methyl]-N-methyl-3-methylsulfonylpropanamide?
The InChIKey is LMEJUIVNNAWMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4S/c1-12(9-11(14)6-3-4-7-11)10(13)5-8-17(2,15)16/h14H,3-9H2,1-2H3.
What are the key properties of N-[(1-hydroxycyclopentyl)methyl]-N-methyl-3-methylsulfonylpropanamide?
N-[(1-hydroxycyclopentyl)methyl]-N-methyl-3-methylsulfonylpropanamide has a molecular weight of 263.36 g/mol, XLogP of 0.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclopentyl)methyl]-N-methyl-3-methylsulfonylpropanamide is sourced from PubChem (CID 115760608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).