2-[(1-hydroxy-3-methylcyclohexyl)methylamino]ethanesulfonamide

C10H22N2O3S — CID 114385265

IUPAC2-[(1-hydroxy-3-methylcyclohexyl)methylamino]ethanesulfonamide
SMILESCC1CCCC(O)(CNCCS(N)(=O)=O)C1
InChIInChI=1S/C10H22N2O3S/c1-9-3-2-4-10(13,7-9)8-12-5-6-16(11,14)15/h9,12-13H,2-8H2,1H3,(H2,11,14,15)
InChIKeyBUKDGLMCPRZBHF-UHFFFAOYSA-N
MW250.36 g/mol
LogP-0.19
Rot. Bonds5

About 2-[(1-hydroxy-3-methylcyclohexyl)methylamino]ethanesulfonamide

2-[(1-hydroxy-3-methylcyclohexyl)methylamino]ethanesulfonamide (PubChem CID 114385265) has the molecular formula C10H22N2O3S and a molecular weight of 250.36 g/mol. Its IUPAC name is 2-[(1-hydroxy-3-methylcyclohexyl)methylamino]ethanesulfonamide.

Molecular Properties

Compound Name2-[(1-hydroxy-3-methylcyclohexyl)methylamino]ethanesulfonamide
PubChem CID114385265
Molecular FormulaC10H22N2O3S
Molecular Weight250.36 g/mol
Exact Mass250.14
IUPAC Name2-[(1-hydroxy-3-methylcyclohexyl)methylamino]ethanesulfonamide
SMILESCC1CCCC(O)(CNCCS(N)(=O)=O)C1
InChIInChI=1S/C10H22N2O3S/c1-9-3-2-4-10(13,7-9)8-12-5-6-16(11,14)15/h9,12-13H,2-8H2,1H3,(H2,11,14,15)
InChIKeyBUKDGLMCPRZBHF-UHFFFAOYSA-N
XLogP-0.19
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 5-0.19
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

1-[[(1-hydroxy-3-methylcyclohexyl)methylamino]methyl]cycloheptan-1-ol
CID 65120782
3-methyl-1-[(3,3,3-trifluoropropylamino)methyl]cyclohexan-1-ol
CID 65121175
1-[(5-hydroxypentylamino)methyl]-3-methylcyclohexan-1-ol
CID 65120868
1-[(decylamino)methyl]-3-methylcyclohexan-1-ol
CID 65120821
5-[(1-hydroxy-3-methylcyclohexyl)methylamino]pentanoic acid
CID 103254347
(1-hydroxy-3-methylcyclohexyl)methylurea
CID 63374230
2-[[(1S,3R)-1-hydroxy-3-methylcyclohexyl]methylamino]-N-methylacetamide
CID 96936567
1-[(ethylsulfamoylamino)methyl]-3-methylcyclohexan-1-ol
CID 115754155
N-[[(1R,3S)-1-hydroxy-3-methylcyclohexyl]methyl]acetamide
CID 36689616
N-cyclopropyl-2-[(1-hydroxy-3-methylcyclohexyl)methylamino]-N-methylacetamide
CID 65120474
1-[(2,2-dimethoxyethylamino)methyl]-3-methylcyclohexan-1-ol
CID 65117297
methyl 3-[(1-hydroxy-3-methylcyclohexyl)methylsulfamoyl]propanoate
CID 65121496

Frequently Asked Questions

What is the IUPAC name of 2-[(1-hydroxy-3-methylcyclohexyl)methylamino]ethanesulfonamide?
The IUPAC name of 2-[(1-hydroxy-3-methylcyclohexyl)methylamino]ethanesulfonamide (CID 114385265) is 2-[(1-hydroxy-3-methylcyclohexyl)methylamino]ethanesulfonamide.
What is the SMILES notation for 2-[(1-hydroxy-3-methylcyclohexyl)methylamino]ethanesulfonamide?
The canonical SMILES for 2-[(1-hydroxy-3-methylcyclohexyl)methylamino]ethanesulfonamide is CC1CCCC(O)(CNCCS(N)(=O)=O)C1.
What is the InChIKey of 2-[(1-hydroxy-3-methylcyclohexyl)methylamino]ethanesulfonamide?
The InChIKey is BUKDGLMCPRZBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3S/c1-9-3-2-4-10(13,7-9)8-12-5-6-16(11,14)15/h9,12-13H,2-8H2,1H3,(H2,11,14,15).
What are the key properties of 2-[(1-hydroxy-3-methylcyclohexyl)methylamino]ethanesulfonamide?
2-[(1-hydroxy-3-methylcyclohexyl)methylamino]ethanesulfonamide has a molecular weight of 250.36 g/mol, XLogP of -0.19, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-hydroxy-3-methylcyclohexyl)methylamino]ethanesulfonamide is sourced from PubChem (CID 114385265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).