1-[(2-methoxyethylsulfamoylamino)methyl]-4-methylcyclohexan-1-ol

C11H24N2O4S — CID 114815694

IUPAC1-[(2-methoxyethylsulfamoylamino)methyl]-4-methylcyclohexan-1-ol
SMILESCOCCNS(=O)(=O)NCC1(O)CCC(C)CC1
InChIInChI=1S/C11H24N2O4S/c1-10-3-5-11(14,6-4-10)9-13-18(15,16)12-7-8-17-2/h10,12-14H,3-9H2,1-2H3
InChIKeyUGKIZPWKLDALHC-UHFFFAOYSA-N
MW280.39 g/mol
LogP-0.00
Rot. Bonds7

About 1-[(2-methoxyethylsulfamoylamino)methyl]-4-methylcyclohexan-1-ol

1-[(2-methoxyethylsulfamoylamino)methyl]-4-methylcyclohexan-1-ol (PubChem CID 114815694) has the molecular formula C11H24N2O4S and a molecular weight of 280.39 g/mol. Its IUPAC name is 1-[(2-methoxyethylsulfamoylamino)methyl]-4-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(2-methoxyethylsulfamoylamino)methyl]-4-methylcyclohexan-1-ol
PubChem CID114815694
Molecular FormulaC11H24N2O4S
Molecular Weight280.39 g/mol
Exact Mass280.15
IUPAC Name1-[(2-methoxyethylsulfamoylamino)methyl]-4-methylcyclohexan-1-ol
SMILESCOCCNS(=O)(=O)NCC1(O)CCC(C)CC1
InChIInChI=1S/C11H24N2O4S/c1-10-3-5-11(14,6-4-10)9-13-18(15,16)12-7-8-17-2/h10,12-14H,3-9H2,1-2H3
InChIKeyUGKIZPWKLDALHC-UHFFFAOYSA-N
XLogP-0.00
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 5-0.00
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-[(2-methoxyethylamino)methyl]-4-methylcyclohexan-1-ol
CID 62773369
3-[(2-methoxyethylsulfamoylamino)methyl]oxolan-3-ol
CID 106102940
1-[(cyclopropylsulfamoylamino)methyl]-4-methylcyclohexan-1-ol
CID 114809564
1-[(2-methoxyethylamino)methyl]-4-methylcycloheptan-1-ol
CID 65082682
1-hydroxy-4-methyl-1-[(sulfamoylamino)methyl]cyclohexane
CID 112573807
N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-(2-methoxyethylamino)acetamide
CID 79290845
1-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]methanesulfonamide
CID 65123212
N-[[1-(aminomethyl)cyclopropyl]methylsulfamoyl]-2-methoxyethanamine
CID 114816777
N-[(1-hydroxy-4-methylcyclohexyl)methyl]butane-1-sulfonamide
CID 65121537
3-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]propane-1-sulfonamide
CID 65123213
2-[1-[(2-methoxyethylsulfamoylamino)methyl]cyclohexyl]acetic acid
CID 114814505
1-(aminomethyl)-1-[2-methoxyethylsulfamoyl(methyl)amino]-4-methylcyclohexane
CID 114813893

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxyethylsulfamoylamino)methyl]-4-methylcyclohexan-1-ol?
The IUPAC name of 1-[(2-methoxyethylsulfamoylamino)methyl]-4-methylcyclohexan-1-ol (CID 114815694) is 1-[(2-methoxyethylsulfamoylamino)methyl]-4-methylcyclohexan-1-ol.
What is the SMILES notation for 1-[(2-methoxyethylsulfamoylamino)methyl]-4-methylcyclohexan-1-ol?
The canonical SMILES for 1-[(2-methoxyethylsulfamoylamino)methyl]-4-methylcyclohexan-1-ol is COCCNS(=O)(=O)NCC1(O)CCC(C)CC1.
What is the InChIKey of 1-[(2-methoxyethylsulfamoylamino)methyl]-4-methylcyclohexan-1-ol?
The InChIKey is UGKIZPWKLDALHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O4S/c1-10-3-5-11(14,6-4-10)9-13-18(15,16)12-7-8-17-2/h10,12-14H,3-9H2,1-2H3.
What are the key properties of 1-[(2-methoxyethylsulfamoylamino)methyl]-4-methylcyclohexan-1-ol?
1-[(2-methoxyethylsulfamoylamino)methyl]-4-methylcyclohexan-1-ol has a molecular weight of 280.39 g/mol, XLogP of -0.00, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxyethylsulfamoylamino)methyl]-4-methylcyclohexan-1-ol is sourced from PubChem (CID 114815694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).