methyl 2-[(2-hydroxycycloheptyl)sulfamoyl]cyclopentane-1-carboxylate

C14H25NO5S — CID 103343368

IUPACmethyl 2-[(2-hydroxycycloheptyl)sulfamoyl]cyclopentane-1-carboxylate
SMILESCOC(=O)C1CCCC1S(=O)(=O)NC1CCCCCC1O
InChIInChI=1S/C14H25NO5S/c1-20-14(17)10-6-5-9-13(10)21(18,19)15-11-7-3-2-4-8-12(11)16/h10-13,15-16H,2-9H2,1H3
InChIKeyCZTFIKTWEKQCMQ-UHFFFAOYSA-N
MW319.42 g/mol
LogP0.94
Rot. Bonds4

About methyl 2-[(2-hydroxycycloheptyl)sulfamoyl]cyclopentane-1-carboxylate

methyl 2-[(2-hydroxycycloheptyl)sulfamoyl]cyclopentane-1-carboxylate (PubChem CID 103343368) has the molecular formula C14H25NO5S and a molecular weight of 319.42 g/mol. Its IUPAC name is methyl 2-[(2-hydroxycycloheptyl)sulfamoyl]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(2-hydroxycycloheptyl)sulfamoyl]cyclopentane-1-carboxylate
PubChem CID103343368
Molecular FormulaC14H25NO5S
Molecular Weight319.42 g/mol
Exact Mass319.15
IUPAC Namemethyl 2-[(2-hydroxycycloheptyl)sulfamoyl]cyclopentane-1-carboxylate
SMILESCOC(=O)C1CCCC1S(=O)(=O)NC1CCCCCC1O
InChIInChI=1S/C14H25NO5S/c1-20-14(17)10-6-5-9-13(10)21(18,19)15-11-7-3-2-4-8-12(11)16/h10-13,15-16H,2-9H2,1H3
InChIKeyCZTFIKTWEKQCMQ-UHFFFAOYSA-N
XLogP0.94
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.42
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(cyclooctylsulfamoyl)cyclopentane-1-carboxylate
CID 103342256
methyl 2-(propan-2-ylsulfamoyl)cyclopentane-1-carboxylate
CID 103342116
methyl 2-(1-azabicyclo[2.2.2]octan-3-ylsulfamoyl)cyclopentane-1-carboxylate
CID 103342193
methyl 2-(dicyclopropylmethylsulfamoyl)cyclopentane-1-carboxylate
CID 103342807
methyl 2-(piperidin-4-ylsulfamoyl)cyclohexane-1-carboxylate;hydrochloride
CID 120874430
trans-methyl (1R,2S)-2-chlorosulfonylcyclopentane-1-carboxylate
CID 98115809
methyl 2-chlorosulfonylcyclopentane-1-carboxylate
CID 83853182
methyl 2-(1-hydroxypropan-2-ylsulfamoyl)cyclopentane-1-carboxylate
CID 103342399
methyl 2-[[(3R)-piperidin-3-yl]sulfamoyl]cyclohexane-1-carboxylate
CID 120876444
methyl 2-(2-hydroxyethylsulfamoyl)cyclopentane-1-carboxylate
CID 103342396
methyl 2-[cyclobutyl(methyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103343467
2,3-bis(methoxycarbonyl)cyclohexane-1-sulfonic acid
CID 134222553

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-hydroxycycloheptyl)sulfamoyl]cyclopentane-1-carboxylate?
The IUPAC name of methyl 2-[(2-hydroxycycloheptyl)sulfamoyl]cyclopentane-1-carboxylate (CID 103343368) is methyl 2-[(2-hydroxycycloheptyl)sulfamoyl]cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 2-[(2-hydroxycycloheptyl)sulfamoyl]cyclopentane-1-carboxylate?
The canonical SMILES for methyl 2-[(2-hydroxycycloheptyl)sulfamoyl]cyclopentane-1-carboxylate is COC(=O)C1CCCC1S(=O)(=O)NC1CCCCCC1O.
What is the InChIKey of methyl 2-[(2-hydroxycycloheptyl)sulfamoyl]cyclopentane-1-carboxylate?
The InChIKey is CZTFIKTWEKQCMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO5S/c1-20-14(17)10-6-5-9-13(10)21(18,19)15-11-7-3-2-4-8-12(11)16/h10-13,15-16H,2-9H2,1H3.
What are the key properties of methyl 2-[(2-hydroxycycloheptyl)sulfamoyl]cyclopentane-1-carboxylate?
methyl 2-[(2-hydroxycycloheptyl)sulfamoyl]cyclopentane-1-carboxylate has a molecular weight of 319.42 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-hydroxycycloheptyl)sulfamoyl]cyclopentane-1-carboxylate is sourced from PubChem (CID 103343368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).