methyl 1-(ethylsulfamoylamino)cyclohexane-1-carboxylate

C10H20N2O4S — CID 14976116

IUPACmethyl 1-(ethylsulfamoylamino)cyclohexane-1-carboxylate
SMILESCCNS(=O)(=O)NC1(C(=O)OC)CCCCC1
InChIInChI=1S/C10H20N2O4S/c1-3-11-17(14,15)12-10(9(13)16-2)7-5-4-6-8-10/h11-12H,3-8H2,1-2H3
InChIKeyPHSHKEXMMIZUHR-UHFFFAOYSA-N
MW264.35 g/mol
LogP0.31
Rot. Bonds5

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

methyl 1-(ethylsulfamoylamino)cyclohexane-1-carboxylate (PubChem CID 14976116) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is methyl 1-(ethylsulfamoylamino)cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(ethylsulfamoylamino)cyclohexane-1-carboxylate
PubChem CID14976116
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC Namemethyl 1-(ethylsulfamoylamino)cyclohexane-1-carboxylate
SMILESCCNS(=O)(=O)NC1(C(=O)OC)CCCCC1
InChIInChI=1S/C10H20N2O4S/c1-3-11-17(14,15)12-10(9(13)16-2)7-5-4-6-8-10/h11-12H,3-8H2,1-2H3
InChIKeyPHSHKEXMMIZUHR-UHFFFAOYSA-N
XLogP0.31
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(ethylsulfamoylamino)cycloheptane-1-carbothioamide
CID 114808160
methyl 1-(ethylamino)cyclododecane-1-carboxylate
CID 60788037
methyl 1-(chloromethylsulfonylamino)cyclohexane-1-carboxylate
CID 107858830
methyl 1-(dimethylsulfamoylamino)cycloheptane-1-carboxylate
CID 35326429
1-(ethylsulfamoylamino)-N'-hydroxycyclopentane-1-carboximidamide
CID 104978316
methyl 1-(3-chloropropylsulfonylamino)cyclohexane-1-carboxylate
CID 107858831
methyl 1-[(4-methylpiperidin-1-yl)sulfonylamino]cyclohexane-1-carboxylate
CID 43053414
methyl 1-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylamino)cyclohexane-1-carboxylate
CID 23236638
methyl 1-(butan-2-ylamino)cyclooctane-1-carboxylate
CID 54908156
1-(ethylsulfamoylamino)cyclohexane-1-carbonitrile
CID 114807696
methyl 1-[[(3R)-3-methylpiperidin-1-yl]sulfonylamino]cyclohexane-1-carboxylate
CID 35322838
methyl 1-[(4-methoxyphenyl)sulfonylamino]cyclohexane-1-carboxylate
CID 22907072

Frequently Asked Questions

What is the IUPAC name of methyl 1-(ethylsulfamoylamino)cyclohexane-1-carboxylate?
The IUPAC name of methyl 1-(ethylsulfamoylamino)cyclohexane-1-carboxylate (CID 14976116) is methyl 1-(ethylsulfamoylamino)cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 1-(ethylsulfamoylamino)cyclohexane-1-carboxylate?
The canonical SMILES for methyl 1-(ethylsulfamoylamino)cyclohexane-1-carboxylate is CCNS(=O)(=O)NC1(C(=O)OC)CCCCC1.
What is the InChIKey of methyl 1-(ethylsulfamoylamino)cyclohexane-1-carboxylate?
The InChIKey is PHSHKEXMMIZUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4S/c1-3-11-17(14,15)12-10(9(13)16-2)7-5-4-6-8-10/h11-12H,3-8H2,1-2H3.
What are the key properties of methyl 1-(ethylsulfamoylamino)cyclohexane-1-carboxylate?
methyl 1-(ethylsulfamoylamino)cyclohexane-1-carboxylate has a molecular weight of 264.35 g/mol, XLogP of 0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(ethylsulfamoylamino)cyclohexane-1-carboxylate is sourced from PubChem (CID 14976116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).