N-[3-(aminomethyl)cyclobutyl]-2-[(4-chlorophenyl)sulfonylamino]propanamide

C14H20ClN3O3S — CID 154872445

IUPACN-[3-(aminomethyl)cyclobutyl]-2-[(4-chlorophenyl)sulfonylamino]propanamide
SMILESCC(NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NC1CC(CN)C1
InChIInChI=1S/C14H20ClN3O3S/c1-9(14(19)17-12-6-10(7-12)8-16)18-22(20,21)13-4-2-11(15)3-5-13/h2-5,9-10,12,18H,6-8,16H2,1H3,(H,17,19)
InChIKeyMBFIOCUDPLZTRF-UHFFFAOYSA-N
MW345.85 g/mol
LogP0.86
Rot. Bonds6

About N-[3-(aminomethyl)cyclobutyl]-2-[(4-chlorophenyl)sulfonylamino]propanamide

N-[3-(aminomethyl)cyclobutyl]-2-[(4-chlorophenyl)sulfonylamino]propanamide (PubChem CID 154872445) has the molecular formula C14H20ClN3O3S and a molecular weight of 345.85 g/mol. Its IUPAC name is N-[3-(aminomethyl)cyclobutyl]-2-[(4-chlorophenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)cyclobutyl]-2-[(4-chlorophenyl)sulfonylamino]propanamide
PubChem CID154872445
Molecular FormulaC14H20ClN3O3S
Molecular Weight345.85 g/mol
Exact Mass345.09
IUPAC NameN-[3-(aminomethyl)cyclobutyl]-2-[(4-chlorophenyl)sulfonylamino]propanamide
SMILESCC(NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NC1CC(CN)C1
InChIInChI=1S/C14H20ClN3O3S/c1-9(14(19)17-12-6-10(7-12)8-16)18-22(20,21)13-4-2-11(15)3-5-13/h2-5,9-10,12,18H,6-8,16H2,1H3,(H,17,19)
InChIKeyMBFIOCUDPLZTRF-UHFFFAOYSA-N
XLogP0.86
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.85
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-cycloheptylpropanamide
CID 51122843
N-(2-aminoethyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 119383880
2-[(4-chlorophenyl)sulfonylamino]-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120602559
N-[1-[3-(aminomethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-4-chlorobenzenesulfonamide
CID 119485391
N-(1-amino-2-cyclopropylpropan-2-yl)-2-[(4-chlorophenyl)sulfonylamino]propanamide;hydrochloride
CID 119574204
N-(1-benzylpiperidin-4-yl)-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 42696611
(2S)-N-(4-acetamidophenyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 2100165
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]propanamide
CID 55939921
N-[1-[2-(aminomethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-4-chlorobenzenesulfonamide
CID 119632871
3-[2-[(4-chlorophenyl)sulfonylamino]propanoylamino]-2-methylpropanoic acid
CID 119237146
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] (2S)-2-[(4-chlorophenyl)sulfonylamino]propanoate
CID 8841947
2-[(4-bromophenyl)sulfonylamino]-N-cyclopropylpropanamide
CID 5025044

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)cyclobutyl]-2-[(4-chlorophenyl)sulfonylamino]propanamide?
The IUPAC name of N-[3-(aminomethyl)cyclobutyl]-2-[(4-chlorophenyl)sulfonylamino]propanamide (CID 154872445) is N-[3-(aminomethyl)cyclobutyl]-2-[(4-chlorophenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-[3-(aminomethyl)cyclobutyl]-2-[(4-chlorophenyl)sulfonylamino]propanamide?
The canonical SMILES for N-[3-(aminomethyl)cyclobutyl]-2-[(4-chlorophenyl)sulfonylamino]propanamide is CC(NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NC1CC(CN)C1.
What is the InChIKey of N-[3-(aminomethyl)cyclobutyl]-2-[(4-chlorophenyl)sulfonylamino]propanamide?
The InChIKey is MBFIOCUDPLZTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O3S/c1-9(14(19)17-12-6-10(7-12)8-16)18-22(20,21)13-4-2-11(15)3-5-13/h2-5,9-10,12,18H,6-8,16H2,1H3,(H,17,19).
What are the key properties of N-[3-(aminomethyl)cyclobutyl]-2-[(4-chlorophenyl)sulfonylamino]propanamide?
N-[3-(aminomethyl)cyclobutyl]-2-[(4-chlorophenyl)sulfonylamino]propanamide has a molecular weight of 345.85 g/mol, XLogP of 0.86, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)cyclobutyl]-2-[(4-chlorophenyl)sulfonylamino]propanamide is sourced from PubChem (CID 154872445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).