methyl 1-(methylsulfamoylamino)cyclohexane-1-carboxylate

C9H18N2O4S — CID 14976115

IUPACmethyl 1-(methylsulfamoylamino)cyclohexane-1-carboxylate
SMILESCNS(=O)(=O)NC1(C(=O)OC)CCCCC1
InChIInChI=1S/C9H18N2O4S/c1-10-16(13,14)11-9(8(12)15-2)6-4-3-5-7-9/h10-11H,3-7H2,1-2H3
InChIKeyQOYTZHGWUWGMBZ-UHFFFAOYSA-N
MW250.32 g/mol
LogP-0.08
Rot. Bonds4

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

methyl 1-(methylsulfamoylamino)cyclohexane-1-carboxylate (PubChem CID 14976115) has the molecular formula C9H18N2O4S and a molecular weight of 250.32 g/mol. Its IUPAC name is methyl 1-(methylsulfamoylamino)cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(methylsulfamoylamino)cyclohexane-1-carboxylate
PubChem CID14976115
Molecular FormulaC9H18N2O4S
Molecular Weight250.32 g/mol
Exact Mass250.10
IUPAC Namemethyl 1-(methylsulfamoylamino)cyclohexane-1-carboxylate
SMILESCNS(=O)(=O)NC1(C(=O)OC)CCCCC1
InChIInChI=1S/C9H18N2O4S/c1-10-16(13,14)11-9(8(12)15-2)6-4-3-5-7-9/h10-11H,3-7H2,1-2H3
InChIKeyQOYTZHGWUWGMBZ-UHFFFAOYSA-N
XLogP-0.08
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 ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(methylsulfamoylamino)cyclohexane-1-carboxylate?
The IUPAC name of methyl 1-(methylsulfamoylamino)cyclohexane-1-carboxylate (CID 14976115) is methyl 1-(methylsulfamoylamino)cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 1-(methylsulfamoylamino)cyclohexane-1-carboxylate?
The canonical SMILES for methyl 1-(methylsulfamoylamino)cyclohexane-1-carboxylate is CNS(=O)(=O)NC1(C(=O)OC)CCCCC1.
What is the InChIKey of methyl 1-(methylsulfamoylamino)cyclohexane-1-carboxylate?
The InChIKey is QOYTZHGWUWGMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4S/c1-10-16(13,14)11-9(8(12)15-2)6-4-3-5-7-9/h10-11H,3-7H2,1-2H3.
What are the key properties of methyl 1-(methylsulfamoylamino)cyclohexane-1-carboxylate?
methyl 1-(methylsulfamoylamino)cyclohexane-1-carboxylate has a molecular weight of 250.32 g/mol, XLogP of -0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(methylsulfamoylamino)cyclohexane-1-carboxylate is sourced from PubChem (CID 14976115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).