N-[(2-hydroxycyclohexyl)methyl]-2-methylsulfonylethanesulfonamide

C10H21NO5S2 — CID 64911395

IUPACN-[(2-hydroxycyclohexyl)methyl]-2-methylsulfonylethanesulfonamide
SMILESCS(=O)(=O)CCS(=O)(=O)NCC1CCCCC1O
InChIInChI=1S/C10H21NO5S2/c1-17(13,14)6-7-18(15,16)11-8-9-4-2-3-5-10(9)12/h9-12H,2-8H2,1H3
InChIKeyBCRUYUOVYNKFET-UHFFFAOYSA-N
MW299.41 g/mol
LogP-0.50
Rot. Bonds6

About N-[(2-hydroxycyclohexyl)methyl]-2-methylsulfonylethanesulfonamide

N-[(2-hydroxycyclohexyl)methyl]-2-methylsulfonylethanesulfonamide (PubChem CID 64911395) has the molecular formula C10H21NO5S2 and a molecular weight of 299.41 g/mol. Its IUPAC name is N-[(2-hydroxycyclohexyl)methyl]-2-methylsulfonylethanesulfonamide.

Molecular Properties

Compound NameN-[(2-hydroxycyclohexyl)methyl]-2-methylsulfonylethanesulfonamide
PubChem CID64911395
Molecular FormulaC10H21NO5S2
Molecular Weight299.41 g/mol
Exact Mass299.09
IUPAC NameN-[(2-hydroxycyclohexyl)methyl]-2-methylsulfonylethanesulfonamide
SMILESCS(=O)(=O)CCS(=O)(=O)NCC1CCCCC1O
InChIInChI=1S/C10H21NO5S2/c1-17(13,14)6-7-18(15,16)11-8-9-4-2-3-5-10(9)12/h9-12H,2-8H2,1H3
InChIKeyBCRUYUOVYNKFET-UHFFFAOYSA-N
XLogP-0.50
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-hydroxycyclopentyl)methyl]-1-methylsulfonylmethanesulfonamide
CID 82843046
N-[(2-hydroxycyclohexyl)methyl]-2-methoxyethanesulfonamide
CID 64913483
3-chloro-N-[(2-hydroxycyclohexyl)methyl]propane-1-sulfonamide
CID 64912535
3-[(2-hydroxycyclohexyl)methylsulfamoyl]propanoic acid
CID 64929072
4-chloro-N-[(2-hydroxycyclohexyl)methyl]butane-1-sulfonamide
CID 116816252
N-[(2-hydroxycyclopentyl)methyl]-3,3-dimethylbutane-1-sulfonamide
CID 103697972
2-[[(methylsulfonimidoyl)amino]methyl]cyclohexan-1-ol
CID 164656075
N-[(2-hydroxycyclohexyl)methyl]-2-propan-2-yloxyethanesulfonamide
CID 79593790
2-(3-methylsulfonylpropyl)cycloheptan-1-ol
CID 63196152
1-hydroxy-2-[(sulfamoylamino)methyl]cyclopentane
CID 112695783
2-methylsulfonyl-N-(piperidin-2-ylmethyl)ethanesulfonamide
CID 63245222
3-chloro-N-[(2-hydroxycyclopentyl)methyl]-2-methylpropane-1-sulfonamide
CID 79588970

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxycyclohexyl)methyl]-2-methylsulfonylethanesulfonamide?
The IUPAC name of N-[(2-hydroxycyclohexyl)methyl]-2-methylsulfonylethanesulfonamide (CID 64911395) is N-[(2-hydroxycyclohexyl)methyl]-2-methylsulfonylethanesulfonamide.
What is the SMILES notation for N-[(2-hydroxycyclohexyl)methyl]-2-methylsulfonylethanesulfonamide?
The canonical SMILES for N-[(2-hydroxycyclohexyl)methyl]-2-methylsulfonylethanesulfonamide is CS(=O)(=O)CCS(=O)(=O)NCC1CCCCC1O.
What is the InChIKey of N-[(2-hydroxycyclohexyl)methyl]-2-methylsulfonylethanesulfonamide?
The InChIKey is BCRUYUOVYNKFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO5S2/c1-17(13,14)6-7-18(15,16)11-8-9-4-2-3-5-10(9)12/h9-12H,2-8H2,1H3.
What are the key properties of N-[(2-hydroxycyclohexyl)methyl]-2-methylsulfonylethanesulfonamide?
N-[(2-hydroxycyclohexyl)methyl]-2-methylsulfonylethanesulfonamide has a molecular weight of 299.41 g/mol, XLogP of -0.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxycyclohexyl)methyl]-2-methylsulfonylethanesulfonamide is sourced from PubChem (CID 64911395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).