methyl 4-(methylsulfamoylamino)cyclohexane-1-carboxylate

C9H18N2O4S — CID 114811643

IUPACmethyl 4-(methylsulfamoylamino)cyclohexane-1-carboxylate
SMILESCNS(=O)(=O)NC1CCC(C(=O)OC)CC1
InChIInChI=1S/C9H18N2O4S/c1-10-16(13,14)11-8-5-3-7(4-6-8)9(12)15-2/h7-8,10-11H,3-6H2,1-2H3
InChIKeyQQHKKJBUSBLFAY-UHFFFAOYSA-N
MW250.32 g/mol
LogP-0.23
Rot. Bonds4

About methyl 4-(methylsulfamoylamino)cyclohexane-1-carboxylate

methyl 4-(methylsulfamoylamino)cyclohexane-1-carboxylate (PubChem CID 114811643) has the molecular formula C9H18N2O4S and a molecular weight of 250.32 g/mol. Its IUPAC name is methyl 4-(methylsulfamoylamino)cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(methylsulfamoylamino)cyclohexane-1-carboxylate
PubChem CID114811643
Molecular FormulaC9H18N2O4S
Molecular Weight250.32 g/mol
Exact Mass250.10
IUPAC Namemethyl 4-(methylsulfamoylamino)cyclohexane-1-carboxylate
SMILESCNS(=O)(=O)NC1CCC(C(=O)OC)CC1
InChIInChI=1S/C9H18N2O4S/c1-10-16(13,14)11-8-5-3-7(4-6-8)9(12)15-2/h7-8,10-11H,3-6H2,1-2H3
InChIKeyQQHKKJBUSBLFAY-UHFFFAOYSA-N
XLogP-0.23
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(propylsulfonylamino)cyclohexane-1-carboxylate
CID 112690080
methyl 4-(difluoromethylsulfonylamino)cyclohexane-1-carboxylate
CID 112690078
cis-methyl (1S,3R)-3-(methylamino)cyclopentane-1-carboxylate
CID 90378778
methyl 4-[(4-chlorophenyl)sulfonylamino]cyclohexane-1-carboxylate
CID 115617309
methyl 4-[[dihydroxy(oxo)-λ6-sulfanylidene]-hydroxymethyl]cyclohexane-1-carboxylate
CID 140602376
methyl 4-[[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexane-1-carboxylate
CID 58291888
methyl 4-(cyclopropanecarbonylamino)cyclohexane-1-carboxylate
CID 115617179
dimethyl cycloheptane-1,4-dicarboxylate
CID 139878536
methyl 4-(2-propan-2-yloxyethylsulfonylamino)cyclohexane-1-carboxylate
CID 115674517
4-(methoxycarbonylsulfamoylamino)cyclohexane-1-carboxylic acid
CID 114462144
methyl 4-[(2-methylpyrazol-3-yl)sulfonylamino]cyclohexane-1-carboxylate
CID 104710389
methyl 4-(pyridin-3-ylsulfonylamino)cyclohexane-1-carboxylate
CID 115617333

Frequently Asked Questions

What is the IUPAC name of methyl 4-(methylsulfamoylamino)cyclohexane-1-carboxylate?
The IUPAC name of methyl 4-(methylsulfamoylamino)cyclohexane-1-carboxylate (CID 114811643) is methyl 4-(methylsulfamoylamino)cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-(methylsulfamoylamino)cyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-(methylsulfamoylamino)cyclohexane-1-carboxylate is CNS(=O)(=O)NC1CCC(C(=O)OC)CC1.
What is the InChIKey of methyl 4-(methylsulfamoylamino)cyclohexane-1-carboxylate?
The InChIKey is QQHKKJBUSBLFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4S/c1-10-16(13,14)11-8-5-3-7(4-6-8)9(12)15-2/h7-8,10-11H,3-6H2,1-2H3.
What are the key properties of methyl 4-(methylsulfamoylamino)cyclohexane-1-carboxylate?
methyl 4-(methylsulfamoylamino)cyclohexane-1-carboxylate has a molecular weight of 250.32 g/mol, XLogP of -0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(methylsulfamoylamino)cyclohexane-1-carboxylate is sourced from PubChem (CID 114811643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).