N-[3-(aminomethyl)pentan-3-yl]-3-morpholin-4-ylsulfonylbenzamide;hydrochloride

C17H28ClN3O4S — CID 119570578

IUPACN-[3-(aminomethyl)pentan-3-yl]-3-morpholin-4-ylsulfonylbenzamide;hydrochloride
SMILESCCC(CC)(CN)NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1.Cl
InChIInChI=1S/C17H27N3O4S.ClH/c1-3-17(4-2,13-18)19-16(21)14-6-5-7-15(12-14)25(22,23)20-8-10-24-11-9-20;/h5-7,12H,3-4,8-11,13,18H2,1-2H3,(H,19,21);1H
InChIKeyKJIJYSXKUWCWRO-UHFFFAOYSA-N
MW405.95 g/mol
LogP1.38
Rot. Bonds7

About N-[3-(aminomethyl)pentan-3-yl]-3-morpholin-4-ylsulfonylbenzamide;hydrochloride

N-[3-(aminomethyl)pentan-3-yl]-3-morpholin-4-ylsulfonylbenzamide;hydrochloride (PubChem CID 119570578) has the molecular formula C17H28ClN3O4S and a molecular weight of 405.95 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-3-morpholin-4-ylsulfonylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-3-morpholin-4-ylsulfonylbenzamide;hydrochloride
PubChem CID119570578
Molecular FormulaC17H28ClN3O4S
Molecular Weight405.95 g/mol
Exact Mass405.15
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-3-morpholin-4-ylsulfonylbenzamide;hydrochloride
SMILESCCC(CC)(CN)NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1.Cl
InChIInChI=1S/C17H27N3O4S.ClH/c1-3-17(4-2,13-18)19-16(21)14-6-5-7-15(12-14)25(22,23)20-8-10-24-11-9-20;/h5-7,12H,3-4,8-11,13,18H2,1-2H3,(H,19,21);1H
InChIKeyKJIJYSXKUWCWRO-UHFFFAOYSA-N
XLogP1.38
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.95
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-(aminomethyl)pentan-3-yl]-3-morpholin-4-ylsulfonylbenzamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-amino-2,4-dimethylpentan-2-yl)-3-morpholin-4-ylsulfonylbenzamide;hydrochloride
CID 119599089
N-[3-(aminomethyl)pentan-3-yl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 119571738
N-butan-2-yl-3-morpholin-4-ylsulfonylbenzamide
CID 42906024
ethyl 3-morpholin-4-ylsulfonylbenzoate
CID 793747
2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]acetic acid
CID 24691198
N-[3-(aminomethyl)pentan-3-yl]-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride
CID 119571385
3-morpholin-4-ylsulfonyl-N-(1-phenylpropylideneamino)benzamide
CID 4611586
N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 110424101
3,5-dimethyl-N'-(3-morpholin-4-ylsulfonylbenzoyl)benzohydrazide
CID 24642744
3-morpholin-4-ylsulfonyl-N-(2-pyrrolidin-1-ylbutyl)benzamide
CID 43064823
diethyl 5-[(3-morpholin-4-ylsulfonylbenzoyl)amino]benzene-1,3-dicarboxylate
CID 26874310
N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]-3-morpholin-4-ylsulfonylbenzamide
CID 5109033

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-3-morpholin-4-ylsulfonylbenzamide;hydrochloride?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-3-morpholin-4-ylsulfonylbenzamide;hydrochloride (CID 119570578) is N-[3-(aminomethyl)pentan-3-yl]-3-morpholin-4-ylsulfonylbenzamide;hydrochloride.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-3-morpholin-4-ylsulfonylbenzamide;hydrochloride?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-3-morpholin-4-ylsulfonylbenzamide;hydrochloride is CCC(CC)(CN)NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1.Cl.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-3-morpholin-4-ylsulfonylbenzamide;hydrochloride?
The InChIKey is KJIJYSXKUWCWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O4S.ClH/c1-3-17(4-2,13-18)19-16(21)14-6-5-7-15(12-14)25(22,23)20-8-10-24-11-9-20;/h5-7,12H,3-4,8-11,13,18H2,1-2H3,(H,19,21);1H.
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-3-morpholin-4-ylsulfonylbenzamide;hydrochloride?
N-[3-(aminomethyl)pentan-3-yl]-3-morpholin-4-ylsulfonylbenzamide;hydrochloride has a molecular weight of 405.95 g/mol, XLogP of 1.38, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-3-morpholin-4-ylsulfonylbenzamide;hydrochloride is sourced from PubChem (CID 119570578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).