methyl 1-[4-[(2-amino-2-cyclopropylethyl)sulfamoyl]phenyl]cyclopropane-1-carboxylate;hydrochloride

C16H23ClN2O4S — CID 120582901

IUPACmethyl 1-[4-[(2-amino-2-cyclopropylethyl)sulfamoyl]phenyl]cyclopropane-1-carboxylate;hydrochloride
SMILESCOC(=O)C1(c2ccc(S(=O)(=O)NCC(N)C3CC3)cc2)CC1.Cl
InChIInChI=1S/C16H22N2O4S.ClH/c1-22-15(19)16(8-9-16)12-4-6-13(7-5-12)23(20,21)18-10-14(17)11-2-3-11;/h4-7,11,14,18H,2-3,8-10,17H2,1H3;1H
InChIKeyINHMFKCDOYXZQB-UHFFFAOYSA-N
MW374.89 g/mol
LogP1.33
Rot. Bonds7

About methyl 1-[4-[(2-amino-2-cyclopropylethyl)sulfamoyl]phenyl]cyclopropane-1-carboxylate;hydrochloride

methyl 1-[4-[(2-amino-2-cyclopropylethyl)sulfamoyl]phenyl]cyclopropane-1-carboxylate;hydrochloride (PubChem CID 120582901) has the molecular formula C16H23ClN2O4S and a molecular weight of 374.89 g/mol. Its IUPAC name is methyl 1-[4-[(2-amino-2-cyclopropylethyl)sulfamoyl]phenyl]cyclopropane-1-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 1-[4-[(2-amino-2-cyclopropylethyl)sulfamoyl]phenyl]cyclopropane-1-carboxylate;hydrochloride
PubChem CID120582901
Molecular FormulaC16H23ClN2O4S
Molecular Weight374.89 g/mol
Exact Mass374.11
IUPAC Namemethyl 1-[4-[(2-amino-2-cyclopropylethyl)sulfamoyl]phenyl]cyclopropane-1-carboxylate;hydrochloride
SMILESCOC(=O)C1(c2ccc(S(=O)(=O)NCC(N)C3CC3)cc2)CC1.Cl
InChIInChI=1S/C16H22N2O4S.ClH/c1-22-15(19)16(8-9-16)12-4-6-13(7-5-12)23(20,21)18-10-14(17)11-2-3-11;/h4-7,11,14,18H,2-3,8-10,17H2,1H3;1H
InChIKeyINHMFKCDOYXZQB-UHFFFAOYSA-N
XLogP1.33
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.89
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 1-[4-[(2-amino-2-cyclopropylethyl)sulfamoyl]phenyl]cyclopropane-1-carboxylate;hydrochloride with MolForge

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Related Compounds

methyl 4-[(2-amino-2-cyclopropylethyl)sulfamoyl]benzoate;hydrochloride
CID 120582816
N-[4-[(2-amino-2-cyclopropylethyl)sulfamoyl]phenyl]acetamide
CID 63764900
N-(2-amino-2-cyclopropylethyl)-4-(2-methoxyethyl)benzenesulfonamide
CID 120582635
N-(2-amino-2-cyclopropylethyl)-4-butan-2-ylbenzenesulfonamide
CID 115301404
N-[4-[(2-amino-2-cyclopropylethyl)sulfamoyl]-2-bromophenyl]acetamide
CID 120713313
N-(2-amino-2-cyclopropylethyl)-4-methoxy-3-methylbenzenesulfonamide
CID 115301370
N-[(2S)-2-amino-2-cyclopropylethyl]-4-nitrobenzenesulfonamide
CID 99625428
1-[4-(2-methylpropylsulfamoyl)phenyl]cyclopropane-1-carboxylic acid
CID 115914207
methyl 2-[(2-amino-2-cyclopropylethyl)sulfamoyl]benzoate;hydrochloride
CID 120582633
N-(2-amino-2-cyclopropylethyl)-3-bromo-4-fluorobenzenesulfonamide
CID 120582565
N-[[5-[(2-amino-2-cyclopropylethyl)sulfamoyl]-2-methoxyphenyl]methyl]propanamide
CID 120582674
4-[(2-amino-2-cyclopropylethyl)sulfamoyl]-1-methylpyrrole-2-carboxamide
CID 115301253

Frequently Asked Questions

What is the IUPAC name of methyl 1-[4-[(2-amino-2-cyclopropylethyl)sulfamoyl]phenyl]cyclopropane-1-carboxylate;hydrochloride?
The IUPAC name of methyl 1-[4-[(2-amino-2-cyclopropylethyl)sulfamoyl]phenyl]cyclopropane-1-carboxylate;hydrochloride (CID 120582901) is methyl 1-[4-[(2-amino-2-cyclopropylethyl)sulfamoyl]phenyl]cyclopropane-1-carboxylate;hydrochloride.
What is the SMILES notation for methyl 1-[4-[(2-amino-2-cyclopropylethyl)sulfamoyl]phenyl]cyclopropane-1-carboxylate;hydrochloride?
The canonical SMILES for methyl 1-[4-[(2-amino-2-cyclopropylethyl)sulfamoyl]phenyl]cyclopropane-1-carboxylate;hydrochloride is COC(=O)C1(c2ccc(S(=O)(=O)NCC(N)C3CC3)cc2)CC1.Cl.
What is the InChIKey of methyl 1-[4-[(2-amino-2-cyclopropylethyl)sulfamoyl]phenyl]cyclopropane-1-carboxylate;hydrochloride?
The InChIKey is INHMFKCDOYXZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4S.ClH/c1-22-15(19)16(8-9-16)12-4-6-13(7-5-12)23(20,21)18-10-14(17)11-2-3-11;/h4-7,11,14,18H,2-3,8-10,17H2,1H3;1H.
What are the key properties of methyl 1-[4-[(2-amino-2-cyclopropylethyl)sulfamoyl]phenyl]cyclopropane-1-carboxylate;hydrochloride?
methyl 1-[4-[(2-amino-2-cyclopropylethyl)sulfamoyl]phenyl]cyclopropane-1-carboxylate;hydrochloride has a molecular weight of 374.89 g/mol, XLogP of 1.33, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[4-[(2-amino-2-cyclopropylethyl)sulfamoyl]phenyl]cyclopropane-1-carboxylate;hydrochloride is sourced from PubChem (CID 120582901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).