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

C18H29N3O4S — CID 119571738

IUPACN-[3-(aminomethyl)pentan-3-yl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
SMILESCCC(CC)(CN)NC(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C18H29N3O4S/c1-4-18(5-2,13-19)20-17(22)15-7-6-14(3)16(12-15)26(23,24)21-8-10-25-11-9-21/h6-7,12H,4-5,8-11,13,19H2,1-3H3,(H,20,22)
InChIKeyBXUNZVBBQIGEDR-UHFFFAOYSA-N
MW383.51 g/mol
LogP1.26
Rot. Bonds7

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

N-[3-(aminomethyl)pentan-3-yl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 119571738) has the molecular formula C18H29N3O4S and a molecular weight of 383.51 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
PubChem CID119571738
Molecular FormulaC18H29N3O4S
Molecular Weight383.51 g/mol
Exact Mass383.19
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
SMILESCCC(CC)(CN)NC(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C18H29N3O4S/c1-4-18(5-2,13-19)20-17(22)15-7-6-14(3)16(12-15)26(23,24)21-8-10-25-11-9-21/h6-7,12H,4-5,8-11,13,19H2,1-3H3,(H,20,22)
InChIKeyBXUNZVBBQIGEDR-UHFFFAOYSA-N
XLogP1.26
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.51
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(aminomethyl)pentan-3-yl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide;hydrochloride
CID 119571735
N-[3-(aminomethyl)pentan-3-yl]-3-morpholin-4-ylsulfonylbenzamide;hydrochloride
CID 119570578
N-[2-(aminomethyl)cyclopentyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 119604828
4-methyl-N-[2-(methylamino)ethyl]-3-morpholin-4-ylsulfonylbenzamide;hydrochloride
CID 119503940
N-[3-(aminomethyl)pentan-3-yl]-3-(diethylsulfamoyl)-4-methylbenzamide
CID 119571500
N-(4-tert-butylphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 8779876
N-(1-amino-2,3-dimethylbutan-2-yl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide;hydrochloride
CID 119606089
4-methyl-3-morpholin-4-ylsulfonylbenzoate
CID 3668064
N-[3-(aminomethyl)pentan-3-yl]-3-(cyclopentylsulfamoyl)-4-methylbenzamide
CID 119570340
N,N-diethyl-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 26583598
4-methyl-3-morpholin-4-ylsulfonyl-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 8733202
4-methyl-3-morpholin-4-ylsulfonyl-N-(1,2,4-triazol-4-yl)benzamide
CID 2337108

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide (CID 119571738) is N-[3-(aminomethyl)pentan-3-yl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide is CCC(CC)(CN)NC(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is BXUNZVBBQIGEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O4S/c1-4-18(5-2,13-19)20-17(22)15-7-6-14(3)16(12-15)26(23,24)21-8-10-25-11-9-21/h6-7,12H,4-5,8-11,13,19H2,1-3H3,(H,20,22).
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide?
N-[3-(aminomethyl)pentan-3-yl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 383.51 g/mol, XLogP of 1.26, 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]-4-methyl-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 119571738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).