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

C12H23NO4S — CID 65113561

IUPACN-[(1-hydroxycyclohexyl)methyl]-2-methyl-2-methylsulfonylpropanamide
SMILESCC(C)(C(=O)NCC1(O)CCCCC1)S(C)(=O)=O
InChIInChI=1S/C12H23NO4S/c1-11(2,18(3,16)17)10(14)13-9-12(15)7-5-4-6-8-12/h15H,4-9H2,1-3H3,(H,13,14)
InChIKeyHYUOLCMRIJXDQT-UHFFFAOYSA-N
MW277.39 g/mol
LogP0.62
Rot. Bonds4

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

N-[(1-hydroxycyclohexyl)methyl]-2-methyl-2-methylsulfonylpropanamide (PubChem CID 65113561) has the molecular formula C12H23NO4S and a molecular weight of 277.39 g/mol. Its IUPAC name is N-[(1-hydroxycyclohexyl)methyl]-2-methyl-2-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclohexyl)methyl]-2-methyl-2-methylsulfonylpropanamide
PubChem CID65113561
Molecular FormulaC12H23NO4S
Molecular Weight277.39 g/mol
Exact Mass277.13
IUPAC NameN-[(1-hydroxycyclohexyl)methyl]-2-methyl-2-methylsulfonylpropanamide
SMILESCC(C)(C(=O)NCC1(O)CCCCC1)S(C)(=O)=O
InChIInChI=1S/C12H23NO4S/c1-11(2,18(3,16)17)10(14)13-9-12(15)7-5-4-6-8-12/h15H,4-9H2,1-3H3,(H,13,14)
InChIKeyHYUOLCMRIJXDQT-UHFFFAOYSA-N
XLogP0.62
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclohexyl)methyl]-2-methyl-2-methylsulfonylpropanamide?
The IUPAC name of N-[(1-hydroxycyclohexyl)methyl]-2-methyl-2-methylsulfonylpropanamide (CID 65113561) is N-[(1-hydroxycyclohexyl)methyl]-2-methyl-2-methylsulfonylpropanamide.
What is the SMILES notation for N-[(1-hydroxycyclohexyl)methyl]-2-methyl-2-methylsulfonylpropanamide?
The canonical SMILES for N-[(1-hydroxycyclohexyl)methyl]-2-methyl-2-methylsulfonylpropanamide is CC(C)(C(=O)NCC1(O)CCCCC1)S(C)(=O)=O.
What is the InChIKey of N-[(1-hydroxycyclohexyl)methyl]-2-methyl-2-methylsulfonylpropanamide?
The InChIKey is HYUOLCMRIJXDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4S/c1-11(2,18(3,16)17)10(14)13-9-12(15)7-5-4-6-8-12/h15H,4-9H2,1-3H3,(H,13,14).
What are the key properties of N-[(1-hydroxycyclohexyl)methyl]-2-methyl-2-methylsulfonylpropanamide?
N-[(1-hydroxycyclohexyl)methyl]-2-methyl-2-methylsulfonylpropanamide has a molecular weight of 277.39 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclohexyl)methyl]-2-methyl-2-methylsulfonylpropanamide is sourced from PubChem (CID 65113561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).