1-amino-N-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]methyl]cyclopropane-1-carboxamide;hydrochloride

C16H24ClN3O4S — CID 119736096

IUPAC1-amino-N-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]methyl]cyclopropane-1-carboxamide;hydrochloride
SMILESCl.NC1(C(=O)NCc2ccc(S(=O)(=O)NCC3CCCO3)cc2)CC1
InChIInChI=1S/C16H23N3O4S.ClH/c17-16(7-8-16)15(20)18-10-12-3-5-14(6-4-12)24(21,22)19-11-13-2-1-9-23-13;/h3-6,13,19H,1-2,7-11,17H2,(H,18,20);1H
InChIKeyHZJXKNIAHXNJMF-UHFFFAOYSA-N
MW389.91 g/mol
LogP0.67
Rot. Bonds7

About 1-amino-N-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]methyl]cyclopropane-1-carboxamide;hydrochloride

1-amino-N-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]methyl]cyclopropane-1-carboxamide;hydrochloride (PubChem CID 119736096) has the molecular formula C16H24ClN3O4S and a molecular weight of 389.91 g/mol. Its IUPAC name is 1-amino-N-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]methyl]cyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]methyl]cyclopropane-1-carboxamide;hydrochloride
PubChem CID119736096
Molecular FormulaC16H24ClN3O4S
Molecular Weight389.91 g/mol
Exact Mass389.12
IUPAC Name1-amino-N-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]methyl]cyclopropane-1-carboxamide;hydrochloride
SMILESCl.NC1(C(=O)NCc2ccc(S(=O)(=O)NCC3CCCO3)cc2)CC1
InChIInChI=1S/C16H23N3O4S.ClH/c17-16(7-8-16)15(20)18-10-12-3-5-14(6-4-12)24(21,22)19-11-13-2-1-9-23-13;/h3-6,13,19H,1-2,7-11,17H2,(H,18,20);1H
InChIKeyHZJXKNIAHXNJMF-UHFFFAOYSA-N
XLogP0.67
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.91
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-amino-N-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]methyl]cyclopropane-1-carboxamide;hydrochloride with MolForge

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Related Compounds

4-amino-N-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]methyl]butanamide;hydrochloride
CID 119296365
(2S)-2-amino-3-methyl-N-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]methyl]butanamide;hydrochloride
CID 119296363
2-methyl-1-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]methyl]guanidine;hydroiodide
CID 110917508
3-methyl-N-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]methyl]furan-2-carboxamide
CID 47058818
4-[[(2R)-oxolan-2-yl]methylsulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
CID 9117546
(Z)-3-cyclopropyl-N-[[4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]methyl]but-2-enamide
CID 52515314
N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 46478512
4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoic acid
CID 796841
N-[1-(aminomethyl)cyclopentyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide;hydrochloride
CID 119565502
4-acetyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 3401907
1-tert-butyl-2-methyl-3-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]methyl]guanidine
CID 110965313
2-methyl-1-(2-methylcyclopropyl)-3-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]methyl]guanidine;hydroiodide
CID 111962082

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]methyl]cyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]methyl]cyclopropane-1-carboxamide;hydrochloride (CID 119736096) is 1-amino-N-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]methyl]cyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]methyl]cyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]methyl]cyclopropane-1-carboxamide;hydrochloride is Cl.NC1(C(=O)NCc2ccc(S(=O)(=O)NCC3CCCO3)cc2)CC1.
What is the InChIKey of 1-amino-N-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]methyl]cyclopropane-1-carboxamide;hydrochloride?
The InChIKey is HZJXKNIAHXNJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4S.ClH/c17-16(7-8-16)15(20)18-10-12-3-5-14(6-4-12)24(21,22)19-11-13-2-1-9-23-13;/h3-6,13,19H,1-2,7-11,17H2,(H,18,20);1H.
What are the key properties of 1-amino-N-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]methyl]cyclopropane-1-carboxamide;hydrochloride?
1-amino-N-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]methyl]cyclopropane-1-carboxamide;hydrochloride has a molecular weight of 389.91 g/mol, XLogP of 0.67, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]methyl]cyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119736096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).