N-[(4-hydroxycyclohexyl)methyl]-2-methyl-2-methylsulfonylpropanamide

C12H23NO4S — CID 114146309

IUPACN-[(4-hydroxycyclohexyl)methyl]-2-methyl-2-methylsulfonylpropanamide
SMILESCC(C)(C(=O)NCC1CCC(O)CC1)S(C)(=O)=O
InChIInChI=1S/C12H23NO4S/c1-12(2,18(3,16)17)11(15)13-8-9-4-6-10(14)7-5-9/h9-10,14H,4-8H2,1-3H3,(H,13,15)
InChIKeyWFXRXYSALIWKJW-UHFFFAOYSA-N
MW277.39 g/mol
LogP0.48
Rot. Bonds4

About N-[(4-hydroxycyclohexyl)methyl]-2-methyl-2-methylsulfonylpropanamide

N-[(4-hydroxycyclohexyl)methyl]-2-methyl-2-methylsulfonylpropanamide (PubChem CID 114146309) has the molecular formula C12H23NO4S and a molecular weight of 277.39 g/mol. Its IUPAC name is N-[(4-hydroxycyclohexyl)methyl]-2-methyl-2-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-[(4-hydroxycyclohexyl)methyl]-2-methyl-2-methylsulfonylpropanamide
PubChem CID114146309
Molecular FormulaC12H23NO4S
Molecular Weight277.39 g/mol
Exact Mass277.13
IUPAC NameN-[(4-hydroxycyclohexyl)methyl]-2-methyl-2-methylsulfonylpropanamide
SMILESCC(C)(C(=O)NCC1CCC(O)CC1)S(C)(=O)=O
InChIInChI=1S/C12H23NO4S/c1-12(2,18(3,16)17)11(15)13-8-9-4-6-10(14)7-5-9/h9-10,14H,4-8H2,1-3H3,(H,13,15)
InChIKeyWFXRXYSALIWKJW-UHFFFAOYSA-N
XLogP0.48
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 ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[(4-hydroxycyclohexyl)methyl]-2-methylpropanamide
CID 106135736
N-[(4-hydroxycyclohexyl)methyl]-2-methoxy-2-methylpropanamide
CID 106123782
3-amino-N-[(4-hydroxycyclohexyl)methyl]-2,2,3-trimethylbutanamide
CID 114148256
2-amino-N-[(4-hydroxycyclohexyl)methyl]-2-methylbutanamide
CID 106135461
2-amino-3,3,3-trifluoro-N-[(4-hydroxycyclohexyl)methyl]-2-methylpropanamide
CID 106135692
N-(cyclopropylmethyl)-2,2-dimethylbutanamide
CID 89142508
N-[(2-bromocyclopentyl)methyl]-2-methyl-2-methylsulfonylpropanamide
CID 114313788
2,2-dichloro-N-(cyclopropylmethyl)propanamide
CID 126988443
2-bromo-N-[(3-hydroxycyclopentyl)methyl]-2-methylpropanamide
CID 106127935
3-(tert-butylamino)-N-[(4-hydroxycyclohexyl)methyl]propanamide
CID 106135794
N-[(4-hydroxycyclohexyl)methyl]-3-methylbut-2-enamide
CID 106123870
2-amino-2-cyclopropyl-N-(cyclopropylmethyl)propanamide
CID 60867867

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxycyclohexyl)methyl]-2-methyl-2-methylsulfonylpropanamide?
The IUPAC name of N-[(4-hydroxycyclohexyl)methyl]-2-methyl-2-methylsulfonylpropanamide (CID 114146309) is N-[(4-hydroxycyclohexyl)methyl]-2-methyl-2-methylsulfonylpropanamide.
What is the SMILES notation for N-[(4-hydroxycyclohexyl)methyl]-2-methyl-2-methylsulfonylpropanamide?
The canonical SMILES for N-[(4-hydroxycyclohexyl)methyl]-2-methyl-2-methylsulfonylpropanamide is CC(C)(C(=O)NCC1CCC(O)CC1)S(C)(=O)=O.
What is the InChIKey of N-[(4-hydroxycyclohexyl)methyl]-2-methyl-2-methylsulfonylpropanamide?
The InChIKey is WFXRXYSALIWKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4S/c1-12(2,18(3,16)17)11(15)13-8-9-4-6-10(14)7-5-9/h9-10,14H,4-8H2,1-3H3,(H,13,15).
What are the key properties of N-[(4-hydroxycyclohexyl)methyl]-2-methyl-2-methylsulfonylpropanamide?
N-[(4-hydroxycyclohexyl)methyl]-2-methyl-2-methylsulfonylpropanamide has a molecular weight of 277.39 g/mol, XLogP of 0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxycyclohexyl)methyl]-2-methyl-2-methylsulfonylpropanamide is sourced from PubChem (CID 114146309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).