N-[(3R)-1-[[1-(2-methoxyethyl)cyclohexyl]methyl]piperidin-3-yl]methanesulfonamide

C16H32N2O3S — CID 99828747

IUPACN-[(3R)-1-[[1-(2-methoxyethyl)cyclohexyl]methyl]piperidin-3-yl]methanesulfonamide
SMILESCOCCC1(CN2CCC[C@@H](NS(C)(=O)=O)C2)CCCCC1
InChIInChI=1S/C16H32N2O3S/c1-21-12-10-16(8-4-3-5-9-16)14-18-11-6-7-15(13-18)17-22(2,19)20/h15,17H,3-14H2,1-2H3/t15-/m1/s1
InChIKeyDGMUMNIZFXGNDL-OAHLLOKOSA-N
MW332.51 g/mol
LogP1.99
Rot. Bonds7

About N-[(3R)-1-[[1-(2-methoxyethyl)cyclohexyl]methyl]piperidin-3-yl]methanesulfonamide

N-[(3R)-1-[[1-(2-methoxyethyl)cyclohexyl]methyl]piperidin-3-yl]methanesulfonamide (PubChem CID 99828747) has the molecular formula C16H32N2O3S and a molecular weight of 332.51 g/mol. Its IUPAC name is N-[(3R)-1-[[1-(2-methoxyethyl)cyclohexyl]methyl]piperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(3R)-1-[[1-(2-methoxyethyl)cyclohexyl]methyl]piperidin-3-yl]methanesulfonamide
PubChem CID99828747
Molecular FormulaC16H32N2O3S
Molecular Weight332.51 g/mol
Exact Mass332.21
IUPAC NameN-[(3R)-1-[[1-(2-methoxyethyl)cyclohexyl]methyl]piperidin-3-yl]methanesulfonamide
SMILESCOCCC1(CN2CCC[C@@H](NS(C)(=O)=O)C2)CCCCC1
InChIInChI=1S/C16H32N2O3S/c1-21-12-10-16(8-4-3-5-9-16)14-18-11-6-7-15(13-18)17-22(2,19)20/h15,17H,3-14H2,1-2H3/t15-/m1/s1
InChIKeyDGMUMNIZFXGNDL-OAHLLOKOSA-N
XLogP1.99
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.51
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3R)-3-(methanesulfonamido)piperidin-1-yl]-N-(2-methoxyethyl)acetamide
CID 95142904
(2R)-4-[[1-(2-methoxyethyl)cyclohexyl]methyl]-2-[(2R)-oxolan-2-yl]morpholine
CID 129430506
N-[(3S)-1-(2-cycloheptylethyl)piperidin-3-yl]methanesulfonamide
CID 100624594
methyl 4-[[2-[(3S)-3-(methanesulfonamido)piperidin-1-yl]acetyl]amino]butanoate
CID 95275410
1-[(3R)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-3-[[1-(2-methoxyethyl)cyclobutyl]methyl]urea
CID 97062806
1-[[1-(bromomethyl)cyclohexyl]methyl]-3-(methoxymethyl)piperidine
CID 106588374
N-(1-ethylpyrrolidin-3-yl)methanesulfonamide
CID 131150504
N-(1-cyclohexylpiperidin-3-yl)methanesulfonamide
CID 86865548
methyl 5-[[3-(methanesulfonamido)piperidin-1-yl]methyl]-2-methylfuran-3-carboxylate
CID 78896687
methyl 4-[3-(methanesulfonamido)piperidin-1-yl]sulfonylbutanoate
CID 61460744
N-cycloheptylmethanesulfonamide
CID 3113423
(1S,5R)-8-[2-[(3R)-3-(methanesulfonamido)piperidin-1-yl]ethyl]-8-azabicyclo[3.2.1]octane-1-carboxamide
CID 173098922

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[[1-(2-methoxyethyl)cyclohexyl]methyl]piperidin-3-yl]methanesulfonamide?
The IUPAC name of N-[(3R)-1-[[1-(2-methoxyethyl)cyclohexyl]methyl]piperidin-3-yl]methanesulfonamide (CID 99828747) is N-[(3R)-1-[[1-(2-methoxyethyl)cyclohexyl]methyl]piperidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[(3R)-1-[[1-(2-methoxyethyl)cyclohexyl]methyl]piperidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[(3R)-1-[[1-(2-methoxyethyl)cyclohexyl]methyl]piperidin-3-yl]methanesulfonamide is COCCC1(CN2CCC[C@@H](NS(C)(=O)=O)C2)CCCCC1.
What is the InChIKey of N-[(3R)-1-[[1-(2-methoxyethyl)cyclohexyl]methyl]piperidin-3-yl]methanesulfonamide?
The InChIKey is DGMUMNIZFXGNDL-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H32N2O3S/c1-21-12-10-16(8-4-3-5-9-16)14-18-11-6-7-15(13-18)17-22(2,19)20/h15,17H,3-14H2,1-2H3/t15-/m1/s1.
What are the key properties of N-[(3R)-1-[[1-(2-methoxyethyl)cyclohexyl]methyl]piperidin-3-yl]methanesulfonamide?
N-[(3R)-1-[[1-(2-methoxyethyl)cyclohexyl]methyl]piperidin-3-yl]methanesulfonamide has a molecular weight of 332.51 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[[1-(2-methoxyethyl)cyclohexyl]methyl]piperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 99828747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).