2-[[(methylsulfonimidoyl)amino]methyl]cyclohexan-1-ol

C8H18N2O2S — CID 164656075

IUPAC2-[[(methylsulfonimidoyl)amino]methyl]cyclohexan-1-ol
SMILES[H]N=S(C)(=O)NCC1CCCCC1O
InChIInChI=1S/C8H18N2O2S/c1-13(9,12)10-6-7-4-2-3-5-8(7)11/h7-8,11H,2-6H2,1H3,(H2,9,10,12)
InChIKeyVNQSDOIDFHKOFD-UHFFFAOYSA-N
MW206.31 g/mol
LogP0.72
Rot. Bonds3

About 2-[[(methylsulfonimidoyl)amino]methyl]cyclohexan-1-ol

2-[[(methylsulfonimidoyl)amino]methyl]cyclohexan-1-ol (PubChem CID 164656075) has the molecular formula C8H18N2O2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 2-[[(methylsulfonimidoyl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[(methylsulfonimidoyl)amino]methyl]cyclohexan-1-ol
PubChem CID164656075
Molecular FormulaC8H18N2O2S
Molecular Weight206.31 g/mol
Exact Mass206.11
IUPAC Name2-[[(methylsulfonimidoyl)amino]methyl]cyclohexan-1-ol
SMILES[H]N=S(C)(=O)NCC1CCCCC1O
InChIInChI=1S/C8H18N2O2S/c1-13(9,12)10-6-7-4-2-3-5-8(7)11/h7-8,11H,2-6H2,1H3,(H2,9,10,12)
InChIKeyVNQSDOIDFHKOFD-UHFFFAOYSA-N
XLogP0.72
TPSA73.18 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-hydroxycyclohexyl)methyl]-2-methylsulfonylethanesulfonamide
CID 64911395
N-[(2-hydroxycyclopentyl)methyl]-1-methylsulfonylmethanesulfonamide
CID 82843046
1-hydroxy-2-[(sulfamoylamino)methyl]cyclopentane
CID 112695783
1-[(dipropylsulfamoylamino)methyl]-2-hydroxycyclohexane
CID 64912245
N-[(2-hydroxycyclohexyl)methyl]-2-methoxyethanesulfonamide
CID 64913483
N-[(2-hydroxycyclopentyl)methyl]-3,3-dimethylbutane-1-sulfonamide
CID 103697972
N-[(2-hydroxycyclohexyl)methyl]piperidine-1-sulfonamide
CID 64910982
3-[(2-hydroxycyclohexyl)methylsulfamoyl]propanoic acid
CID 64929072
3-chloro-N-[(2-hydroxycyclohexyl)methyl]propane-1-sulfonamide
CID 64912535
N-[(2-hydroxycyclohexyl)methyl]-2-propan-2-yloxyethanesulfonamide
CID 79593790
4-chloro-N-[(2-hydroxycyclohexyl)methyl]butane-1-sulfonamide
CID 116816252
trans-(1S,2S)-1-hydroxy-2-[[[methyl(propyl)sulfamoyl]amino]methyl]cyclopentane
CID 97244865

Frequently Asked Questions

What is the IUPAC name of 2-[[(methylsulfonimidoyl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 2-[[(methylsulfonimidoyl)amino]methyl]cyclohexan-1-ol (CID 164656075) is 2-[[(methylsulfonimidoyl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[[(methylsulfonimidoyl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[[(methylsulfonimidoyl)amino]methyl]cyclohexan-1-ol is [H]N=S(C)(=O)NCC1CCCCC1O.
What is the InChIKey of 2-[[(methylsulfonimidoyl)amino]methyl]cyclohexan-1-ol?
The InChIKey is VNQSDOIDFHKOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S/c1-13(9,12)10-6-7-4-2-3-5-8(7)11/h7-8,11H,2-6H2,1H3,(H2,9,10,12).
What are the key properties of 2-[[(methylsulfonimidoyl)amino]methyl]cyclohexan-1-ol?
2-[[(methylsulfonimidoyl)amino]methyl]cyclohexan-1-ol has a molecular weight of 206.31 g/mol, XLogP of 0.72, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(methylsulfonimidoyl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 164656075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).