1-[(ethylsulfamoylamino)methyl]-3-methylcyclohexan-1-ol

C10H22N2O3S — CID 115754155

IUPAC1-[(ethylsulfamoylamino)methyl]-3-methylcyclohexan-1-ol
SMILESCCNS(=O)(=O)NCC1(O)CCCC(C)C1
InChIInChI=1S/C10H22N2O3S/c1-3-11-16(14,15)12-8-10(13)6-4-5-9(2)7-10/h9,11-13H,3-8H2,1-2H3
InChIKeyQSIQLBNPKAECCT-UHFFFAOYSA-N
MW250.36 g/mol
LogP0.37
Rot. Bonds5

About 1-[(ethylsulfamoylamino)methyl]-3-methylcyclohexan-1-ol

1-[(ethylsulfamoylamino)methyl]-3-methylcyclohexan-1-ol (PubChem CID 115754155) has the molecular formula C10H22N2O3S and a molecular weight of 250.36 g/mol. Its IUPAC name is 1-[(ethylsulfamoylamino)methyl]-3-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(ethylsulfamoylamino)methyl]-3-methylcyclohexan-1-ol
PubChem CID115754155
Molecular FormulaC10H22N2O3S
Molecular Weight250.36 g/mol
Exact Mass250.14
IUPAC Name1-[(ethylsulfamoylamino)methyl]-3-methylcyclohexan-1-ol
SMILESCCNS(=O)(=O)NCC1(O)CCCC(C)C1
InChIInChI=1S/C10H22N2O3S/c1-3-11-16(14,15)12-8-10(13)6-4-5-9(2)7-10/h9,11-13H,3-8H2,1-2H3
InChIKeyQSIQLBNPKAECCT-UHFFFAOYSA-N
XLogP0.37
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-[(2-methylpropylsulfamoylamino)methyl]cyclohexan-1-ol
CID 114815697
methyl 3-[(1-hydroxy-3-methylcyclohexyl)methylsulfamoyl]propanoate
CID 65121496
N-[[(1R,3S)-1-hydroxy-3-methylcyclohexyl]methyl]acetamide
CID 36689616
(1-hydroxy-3-methylcyclohexyl)methylurea
CID 63374230
2-[(1-hydroxy-3-methylcyclohexyl)methylamino]ethanesulfonamide
CID 114385265
1-[[(1-hydroxy-3-methylcyclohexyl)methylamino]methyl]cycloheptan-1-ol
CID 65120782
2-chloro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzenesulfonamide
CID 65121838
cis-(1S,3S)-1-(aminomethyl)-3-methylcyclohexan-1-ol
CID 25015095
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methylsulfonylpropanamide
CID 112695770
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 65121358
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methyl-1,3-thiazole-5-sulfonamide
CID 103847940
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-4-oxo-1H-pyridine-3-sulfonamide
CID 65123067

Frequently Asked Questions

What is the IUPAC name of 1-[(ethylsulfamoylamino)methyl]-3-methylcyclohexan-1-ol?
The IUPAC name of 1-[(ethylsulfamoylamino)methyl]-3-methylcyclohexan-1-ol (CID 115754155) is 1-[(ethylsulfamoylamino)methyl]-3-methylcyclohexan-1-ol.
What is the SMILES notation for 1-[(ethylsulfamoylamino)methyl]-3-methylcyclohexan-1-ol?
The canonical SMILES for 1-[(ethylsulfamoylamino)methyl]-3-methylcyclohexan-1-ol is CCNS(=O)(=O)NCC1(O)CCCC(C)C1.
What is the InChIKey of 1-[(ethylsulfamoylamino)methyl]-3-methylcyclohexan-1-ol?
The InChIKey is QSIQLBNPKAECCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3S/c1-3-11-16(14,15)12-8-10(13)6-4-5-9(2)7-10/h9,11-13H,3-8H2,1-2H3.
What are the key properties of 1-[(ethylsulfamoylamino)methyl]-3-methylcyclohexan-1-ol?
1-[(ethylsulfamoylamino)methyl]-3-methylcyclohexan-1-ol has a molecular weight of 250.36 g/mol, XLogP of 0.37, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(ethylsulfamoylamino)methyl]-3-methylcyclohexan-1-ol is sourced from PubChem (CID 115754155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).