methyl 4-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]-5-methylfuran-2-carboxylate;hydrochloride

C15H25ClN2O5S — CID 120607171

IUPACmethyl 4-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]-5-methylfuran-2-carboxylate;hydrochloride
SMILESCOC(=O)c1cc(S(=O)(=O)NC2(CN)CCCCC2C)c(C)o1.Cl
InChIInChI=1S/C15H24N2O5S.ClH/c1-10-6-4-5-7-15(10,9-16)17-23(19,20)13-8-12(14(18)21-3)22-11(13)2;/h8,10,17H,4-7,9,16H2,1-3H3;1H
InChIKeySOBUIKPTSQDDNI-UHFFFAOYSA-N
MW380.89 g/mol
LogP1.98
Rot. Bonds5

About methyl 4-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]-5-methylfuran-2-carboxylate;hydrochloride

methyl 4-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]-5-methylfuran-2-carboxylate;hydrochloride (PubChem CID 120607171) has the molecular formula C15H25ClN2O5S and a molecular weight of 380.89 g/mol. Its IUPAC name is methyl 4-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]-5-methylfuran-2-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 4-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]-5-methylfuran-2-carboxylate;hydrochloride
PubChem CID120607171
Molecular FormulaC15H25ClN2O5S
Molecular Weight380.89 g/mol
Exact Mass380.12
IUPAC Namemethyl 4-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]-5-methylfuran-2-carboxylate;hydrochloride
SMILESCOC(=O)c1cc(S(=O)(=O)NC2(CN)CCCCC2C)c(C)o1.Cl
InChIInChI=1S/C15H24N2O5S.ClH/c1-10-6-4-5-7-15(10,9-16)17-23(19,20)13-8-12(14(18)21-3)22-11(13)2;/h8,10,17H,4-7,9,16H2,1-3H3;1H
InChIKeySOBUIKPTSQDDNI-UHFFFAOYSA-N
XLogP1.98
TPSA111.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.89
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]-5-methylfuran-2-carboxylate;hydrochloride?
The IUPAC name of methyl 4-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]-5-methylfuran-2-carboxylate;hydrochloride (CID 120607171) is methyl 4-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]-5-methylfuran-2-carboxylate;hydrochloride.
What is the SMILES notation for methyl 4-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]-5-methylfuran-2-carboxylate;hydrochloride?
The canonical SMILES for methyl 4-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]-5-methylfuran-2-carboxylate;hydrochloride is COC(=O)c1cc(S(=O)(=O)NC2(CN)CCCCC2C)c(C)o1.Cl.
What is the InChIKey of methyl 4-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]-5-methylfuran-2-carboxylate;hydrochloride?
The InChIKey is SOBUIKPTSQDDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O5S.ClH/c1-10-6-4-5-7-15(10,9-16)17-23(19,20)13-8-12(14(18)21-3)22-11(13)2;/h8,10,17H,4-7,9,16H2,1-3H3;1H.
What are the key properties of methyl 4-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]-5-methylfuran-2-carboxylate;hydrochloride?
methyl 4-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]-5-methylfuran-2-carboxylate;hydrochloride has a molecular weight of 380.89 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]-5-methylfuran-2-carboxylate;hydrochloride is sourced from PubChem (CID 120607171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).