methyl 2-[(1-aminocycloheptyl)methylsulfamoyl]cyclohexane-1-carboxylate

C16H30N2O4S — CID 120875669

IUPACmethyl 2-[(1-aminocycloheptyl)methylsulfamoyl]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCCCC1S(=O)(=O)NCC1(N)CCCCCC1
InChIInChI=1S/C16H30N2O4S/c1-22-15(19)13-8-4-5-9-14(13)23(20,21)18-12-16(17)10-6-2-3-7-11-16/h13-14,18H,2-12,17H2,1H3
InChIKeyJHONANNOGYIICW-UHFFFAOYSA-N
MW346.49 g/mol
LogP1.69
Rot. Bonds5

About methyl 2-[(1-aminocycloheptyl)methylsulfamoyl]cyclohexane-1-carboxylate

methyl 2-[(1-aminocycloheptyl)methylsulfamoyl]cyclohexane-1-carboxylate (PubChem CID 120875669) has the molecular formula C16H30N2O4S and a molecular weight of 346.49 g/mol. Its IUPAC name is methyl 2-[(1-aminocycloheptyl)methylsulfamoyl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(1-aminocycloheptyl)methylsulfamoyl]cyclohexane-1-carboxylate
PubChem CID120875669
Molecular FormulaC16H30N2O4S
Molecular Weight346.49 g/mol
Exact Mass346.19
IUPAC Namemethyl 2-[(1-aminocycloheptyl)methylsulfamoyl]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCCCC1S(=O)(=O)NCC1(N)CCCCCC1
InChIInChI=1S/C16H30N2O4S/c1-22-15(19)13-8-4-5-9-14(13)23(20,21)18-12-16(17)10-6-2-3-7-11-16/h13-14,18H,2-12,17H2,1H3
InChIKeyJHONANNOGYIICW-UHFFFAOYSA-N
XLogP1.69
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.49
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(2-hydroxyethylsulfamoyl)cyclopentane-1-carboxylate
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methyl 2-(cyclooctylsulfamoyl)cyclopentane-1-carboxylate
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methyl 2-(2-piperidin-1-ylethylsulfamoyl)cyclopentane-1-carboxylate
CID 103342813
methyl 2-[(4-ethoxy-4-oxobutyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103343105
methyl 2-(2-cyanopropylsulfamoyl)cyclohexane-1-carboxylate
CID 75455830
trans-methyl (1R,2S)-2-(2-ethoxyethylsulfamoyl)cyclopentane-1-carboxylate
CID 99794576
2-[[(2-methoxycarbonylcyclohexyl)sulfonylamino]methyl]-4-methylpentanoic acid
CID 120660593
methyl 2-(2,2-diethoxyethylsulfamoyl)cyclopentane-1-carboxylate
CID 103343206
methyl 2-[(1,1-dioxothiolan-3-yl)methylsulfamoyl]cyclopentane-1-carboxylate
CID 103342714
methyl 2-(propan-2-ylsulfamoyl)cyclopentane-1-carboxylate
CID 103342116
methyl 2-(dicyclopropylmethylsulfamoyl)cyclopentane-1-carboxylate
CID 103342807

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1-aminocycloheptyl)methylsulfamoyl]cyclohexane-1-carboxylate?
The IUPAC name of methyl 2-[(1-aminocycloheptyl)methylsulfamoyl]cyclohexane-1-carboxylate (CID 120875669) is methyl 2-[(1-aminocycloheptyl)methylsulfamoyl]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 2-[(1-aminocycloheptyl)methylsulfamoyl]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 2-[(1-aminocycloheptyl)methylsulfamoyl]cyclohexane-1-carboxylate is COC(=O)C1CCCCC1S(=O)(=O)NCC1(N)CCCCCC1.
What is the InChIKey of methyl 2-[(1-aminocycloheptyl)methylsulfamoyl]cyclohexane-1-carboxylate?
The InChIKey is JHONANNOGYIICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O4S/c1-22-15(19)13-8-4-5-9-14(13)23(20,21)18-12-16(17)10-6-2-3-7-11-16/h13-14,18H,2-12,17H2,1H3.
What are the key properties of methyl 2-[(1-aminocycloheptyl)methylsulfamoyl]cyclohexane-1-carboxylate?
methyl 2-[(1-aminocycloheptyl)methylsulfamoyl]cyclohexane-1-carboxylate has a molecular weight of 346.49 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1-aminocycloheptyl)methylsulfamoyl]cyclohexane-1-carboxylate is sourced from PubChem (CID 120875669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).