trans-(1R,2R)-2-(2-methoxyethylsulfamoylamino)cyclohexan-1-ol

C9H20N2O4S — CID 102739274

IUPACtrans-(1R,2R)-2-(2-methoxyethylsulfamoylamino)cyclohexan-1-ol
SMILESCOCCNS(=O)(=O)N[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C9H20N2O4S/c1-15-7-6-10-16(13,14)11-8-4-2-3-5-9(8)12/h8-12H,2-7H2,1H3/t8-,9-/m1/s1
InChIKeyTWDRDQAPJDAFQC-RKDXNWHRSA-N
MW252.34 g/mol
LogP-0.64
Rot. Bonds6

About trans-(1R,2R)-2-(2-methoxyethylsulfamoylamino)cyclohexan-1-ol

trans-(1R,2R)-2-(2-methoxyethylsulfamoylamino)cyclohexan-1-ol (PubChem CID 102739274) has the molecular formula C9H20N2O4S and a molecular weight of 252.34 g/mol. Its IUPAC name is trans-(1R,2R)-2-(2-methoxyethylsulfamoylamino)cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(2-methoxyethylsulfamoylamino)cyclohexan-1-ol
PubChem CID102739274
Molecular FormulaC9H20N2O4S
Molecular Weight252.34 g/mol
Exact Mass252.11
IUPAC Nametrans-(1R,2R)-2-(2-methoxyethylsulfamoylamino)cyclohexan-1-ol
SMILESCOCCNS(=O)(=O)N[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C9H20N2O4S/c1-15-7-6-10-16(13,14)11-8-4-2-3-5-9(8)12/h8-12H,2-7H2,1H3/t8-,9-/m1/s1
InChIKeyTWDRDQAPJDAFQC-RKDXNWHRSA-N
XLogP-0.64
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 5-0.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(methylsulfamoylamino)cycloheptan-1-ol
CID 114809764
N-(2-methoxyethylsulfamoyl)piperidin-4-amine
CID 114814237
N-(2-methoxyethylsulfamoyl)piperidin-3-amine
CID 114814253
2-[[(1R,2R)-2-hydroxycyclohexyl]amino]-N-(2-methoxyethyl)propanamide
CID 102731613
(1R,2S)-1-(2-methoxyethylsulfamoylamino)-2,3-dihydro-1H-inden-2-ol
CID 102739063
1-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]methanesulfonamide
CID 107858977
N-(2-methoxyethylsulfamoyl)-6-methylpiperidin-3-amine
CID 114815036
2-(hydroxymethyl)-2-(2-methoxyethylsulfamoylamino)propane-1,3-diol
CID 107848380
1-cyclopropyl-N-[(1S,2S)-2-hydroxycyclohexyl]methanesulfonamide
CID 104953228
N-[(2-hydroxycyclohexyl)methyl]-2-methoxyethanesulfonamide
CID 64913483
4-(2-methoxyethylsulfamoyl)-N-(2-methylcyclohexyl)benzamide
CID 17464043
ethyl 2-[[(1R,2R)-2-hydroxycyclohexyl]sulfamoyl]acetate
CID 104922331

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(2-methoxyethylsulfamoylamino)cyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-(2-methoxyethylsulfamoylamino)cyclohexan-1-ol (CID 102739274) is trans-(1R,2R)-2-(2-methoxyethylsulfamoylamino)cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-(2-methoxyethylsulfamoylamino)cyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-(2-methoxyethylsulfamoylamino)cyclohexan-1-ol is COCCNS(=O)(=O)N[C@@H]1CCCC[C@H]1O.
What is the InChIKey of trans-(1R,2R)-2-(2-methoxyethylsulfamoylamino)cyclohexan-1-ol?
The InChIKey is TWDRDQAPJDAFQC-RKDXNWHRSA-N. The full InChI is InChI=1S/C9H20N2O4S/c1-15-7-6-10-16(13,14)11-8-4-2-3-5-9(8)12/h8-12H,2-7H2,1H3/t8-,9-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(2-methoxyethylsulfamoylamino)cyclohexan-1-ol?
trans-(1R,2R)-2-(2-methoxyethylsulfamoylamino)cyclohexan-1-ol has a molecular weight of 252.34 g/mol, XLogP of -0.64, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(2-methoxyethylsulfamoylamino)cyclohexan-1-ol is sourced from PubChem (CID 102739274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).