methyl 1-(dimethylsulfamoylamino)cyclohexane-1-carboxylate

C10H20N2O4S — CID 35322808

IUPACmethyl 1-(dimethylsulfamoylamino)cyclohexane-1-carboxylate
SMILESCOC(=O)C1(NS(=O)(=O)N(C)C)CCCCC1
InChIInChI=1S/C10H20N2O4S/c1-12(2)17(14,15)11-10(9(13)16-3)7-5-4-6-8-10/h11H,4-8H2,1-3H3
InChIKeyTVGYIMCKSQXUMN-UHFFFAOYSA-N
MW264.35 g/mol
LogP0.26
Rot. Bonds4

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

methyl 1-(dimethylsulfamoylamino)cyclohexane-1-carboxylate (PubChem CID 35322808) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is methyl 1-(dimethylsulfamoylamino)cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(dimethylsulfamoylamino)cyclohexane-1-carboxylate
PubChem CID35322808
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC Namemethyl 1-(dimethylsulfamoylamino)cyclohexane-1-carboxylate
SMILESCOC(=O)C1(NS(=O)(=O)N(C)C)CCCCC1
InChIInChI=1S/C10H20N2O4S/c1-12(2)17(14,15)11-10(9(13)16-3)7-5-4-6-8-10/h11H,4-8H2,1-3H3
InChIKeyTVGYIMCKSQXUMN-UHFFFAOYSA-N
XLogP0.26
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 22615656
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CID 28784445
CID 28784445
CID 57032516
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CID 146470372
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CID 14976115
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CID 14976116
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CID 28527196
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CID 28546596
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CID 28784443
CID 28784443

Frequently Asked Questions

What is the IUPAC name of methyl 1-(dimethylsulfamoylamino)cyclohexane-1-carboxylate?
The IUPAC name of methyl 1-(dimethylsulfamoylamino)cyclohexane-1-carboxylate (CID 35322808) is methyl 1-(dimethylsulfamoylamino)cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 1-(dimethylsulfamoylamino)cyclohexane-1-carboxylate?
The canonical SMILES for methyl 1-(dimethylsulfamoylamino)cyclohexane-1-carboxylate is COC(=O)C1(NS(=O)(=O)N(C)C)CCCCC1.
What is the InChIKey of methyl 1-(dimethylsulfamoylamino)cyclohexane-1-carboxylate?
The InChIKey is TVGYIMCKSQXUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4S/c1-12(2)17(14,15)11-10(9(13)16-3)7-5-4-6-8-10/h11H,4-8H2,1-3H3.
What are the key properties of methyl 1-(dimethylsulfamoylamino)cyclohexane-1-carboxylate?
methyl 1-(dimethylsulfamoylamino)cyclohexane-1-carboxylate has a molecular weight of 264.35 g/mol, XLogP of 0.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(dimethylsulfamoylamino)cyclohexane-1-carboxylate is sourced from PubChem (CID 35322808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).