N-[[(2R)-2-hydroxycyclohexyl]methyl]-2-methyl-2-phenylsulfanylpropanamide

C17H25NO2S — CID 59219371

IUPACN-[[(2R)-2-hydroxycyclohexyl]methyl]-2-methyl-2-phenylsulfanylpropanamide
SMILESCC(C)(Sc1ccccc1)C(=O)NCC1CCCC[C@H]1O
InChIInChI=1S/C17H25NO2S/c1-17(2,21-14-9-4-3-5-10-14)16(20)18-12-13-8-6-7-11-15(13)19/h3-5,9-10,13,15,19H,6-8,11-12H2,1-2H3,(H,18,20)/t13?,15-/m1/s1
InChIKeyQXCNHRBSDAFTTO-AWKYBWMHSA-N
MW307.46 g/mol
LogP3.22
Rot. Bonds5

About N-[[(2R)-2-hydroxycyclohexyl]methyl]-2-methyl-2-phenylsulfanylpropanamide

N-[[(2R)-2-hydroxycyclohexyl]methyl]-2-methyl-2-phenylsulfanylpropanamide (PubChem CID 59219371) has the molecular formula C17H25NO2S and a molecular weight of 307.46 g/mol. Its IUPAC name is N-[[(2R)-2-hydroxycyclohexyl]methyl]-2-methyl-2-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-[[(2R)-2-hydroxycyclohexyl]methyl]-2-methyl-2-phenylsulfanylpropanamide
PubChem CID59219371
Molecular FormulaC17H25NO2S
Molecular Weight307.46 g/mol
Exact Mass307.16
IUPAC NameN-[[(2R)-2-hydroxycyclohexyl]methyl]-2-methyl-2-phenylsulfanylpropanamide
SMILESCC(C)(Sc1ccccc1)C(=O)NCC1CCCC[C@H]1O
InChIInChI=1S/C17H25NO2S/c1-17(2,21-14-9-4-3-5-10-14)16(20)18-12-13-8-6-7-11-15(13)19/h3-5,9-10,13,15,19H,6-8,11-12H2,1-2H3,(H,18,20)/t13?,15-/m1/s1
InChIKeyQXCNHRBSDAFTTO-AWKYBWMHSA-N
XLogP3.22
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(2-hydroxycyclopentyl)methyl]-2-phenylpropanamide;hydrochloride
CID 120590935
2-amino-N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-2-methylpropanamide;oxalic acid
CID 67929862
2-cyano-N-[(2-hydroxycyclohexyl)methyl]-2-methylpropanamide
CID 64910829
N-[(2-hydroxycyclohexyl)methyl]-2-methoxy-2-phenylacetamide
CID 64929493
N-[(2-hydroxycyclopentyl)methyl]-2-methoxy-2-methylpropanamide
CID 103708572
N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-2-methylbenzamide
CID 70846071
(2S)-N-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-2-phenylpropanamide
CID 129445920
N-[(2-hydroxycyclohexyl)methyl]-1-phenylcyclobutane-1-carboxamide
CID 64929111
1-[[(1R,2R)-2-hydroxycyclopentyl]methyl]-3-[2-(N-methylanilino)ethyl]urea
CID 98775452
N-[(2-hydroxycyclopentyl)methyl]-2-methyl-3-phenylpropanamide
CID 111471021
N-[(2-hydroxycyclohexyl)methyl]-4-sulfanylbenzamide
CID 107031044
N-[(2-hydroxycyclohexyl)methyl]-3-methylsulfanylpropanamide
CID 64929499

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-2-hydroxycyclohexyl]methyl]-2-methyl-2-phenylsulfanylpropanamide?
The IUPAC name of N-[[(2R)-2-hydroxycyclohexyl]methyl]-2-methyl-2-phenylsulfanylpropanamide (CID 59219371) is N-[[(2R)-2-hydroxycyclohexyl]methyl]-2-methyl-2-phenylsulfanylpropanamide.
What is the SMILES notation for N-[[(2R)-2-hydroxycyclohexyl]methyl]-2-methyl-2-phenylsulfanylpropanamide?
The canonical SMILES for N-[[(2R)-2-hydroxycyclohexyl]methyl]-2-methyl-2-phenylsulfanylpropanamide is CC(C)(Sc1ccccc1)C(=O)NCC1CCCC[C@H]1O.
What is the InChIKey of N-[[(2R)-2-hydroxycyclohexyl]methyl]-2-methyl-2-phenylsulfanylpropanamide?
The InChIKey is QXCNHRBSDAFTTO-AWKYBWMHSA-N. The full InChI is InChI=1S/C17H25NO2S/c1-17(2,21-14-9-4-3-5-10-14)16(20)18-12-13-8-6-7-11-15(13)19/h3-5,9-10,13,15,19H,6-8,11-12H2,1-2H3,(H,18,20)/t13?,15-/m1/s1.
What are the key properties of N-[[(2R)-2-hydroxycyclohexyl]methyl]-2-methyl-2-phenylsulfanylpropanamide?
N-[[(2R)-2-hydroxycyclohexyl]methyl]-2-methyl-2-phenylsulfanylpropanamide has a molecular weight of 307.46 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-2-hydroxycyclohexyl]methyl]-2-methyl-2-phenylsulfanylpropanamide is sourced from PubChem (CID 59219371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).