4-(2-aminoethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]benzamide

C14H20N2OS — CID 114115971

IUPAC4-(2-aminoethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]benzamide
SMILESCSC1(CNC(=O)c2ccc(CCN)cc2)CC1
InChIInChI=1S/C14H20N2OS/c1-18-14(7-8-14)10-16-13(17)12-4-2-11(3-5-12)6-9-15/h2-5H,6-10,15H2,1H3,(H,16,17)
InChIKeyJRVBVDVKBNCZLJ-UHFFFAOYSA-N
MW264.39 g/mol
LogP1.81
Rot. Bonds6

About 4-(2-aminoethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]benzamide

4-(2-aminoethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]benzamide (PubChem CID 114115971) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]benzamide.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]benzamide
PubChem CID114115971
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name4-(2-aminoethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]benzamide
SMILESCSC1(CNC(=O)c2ccc(CCN)cc2)CC1
InChIInChI=1S/C14H20N2OS/c1-18-14(7-8-14)10-16-13(17)12-4-2-11(3-5-12)6-9-15/h2-5H,6-10,15H2,1H3,(H,16,17)
InChIKeyJRVBVDVKBNCZLJ-UHFFFAOYSA-N
XLogP1.81
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(bromomethyl)-N-[(1-methylsulfanylcyclopentyl)methyl]benzamide
CID 114115857
4-(chloromethyl)-N-[(1-methylsulfanylcyclobutyl)methyl]benzamide
CID 114115852
4-(2-aminoethyl)-N-(3-methyloxolan-3-yl)benzamide
CID 113482027
4-(2-aminoethyl)-N-(2-hydroxy-2-methylpropyl)benzamide
CID 65107141
2,6-dichloro-N-[(1-methylsulfanylcyclopropyl)methyl]pyridine-4-carboxamide
CID 107271725
5,6-dichloro-N-[(1-methylsulfanylcyclopropyl)methyl]pyridine-3-carboxamide
CID 107271693
4-(2-aminoethyl)-N-methoxybenzamide
CID 64974995
2,3-dimethyl-N-[(1-methylsulfanylcyclopropyl)methyl]-1H-indole-5-carboxamide
CID 107271669
N-[4-(2-aminoethyl)phenyl]-4-methylbenzamide
CID 28754500
4-(aminomethyl)-N-[(1-phenylsulfanylcyclopentyl)methyl]benzamide
CID 119323030
2-(ethylamino)-N-[(1-methylsulfanylcyclopropyl)methyl]pyridine-4-carboxamide
CID 107329704
4-(aminomethyl)-N-[(1-phenylsulfanylcyclopentyl)methyl]benzamide;hydrochloride
CID 119323029

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]benzamide?
The IUPAC name of 4-(2-aminoethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]benzamide (CID 114115971) is 4-(2-aminoethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]benzamide.
What is the SMILES notation for 4-(2-aminoethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]benzamide?
The canonical SMILES for 4-(2-aminoethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]benzamide is CSC1(CNC(=O)c2ccc(CCN)cc2)CC1.
What is the InChIKey of 4-(2-aminoethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]benzamide?
The InChIKey is JRVBVDVKBNCZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-18-14(7-8-14)10-16-13(17)12-4-2-11(3-5-12)6-9-15/h2-5H,6-10,15H2,1H3,(H,16,17).
What are the key properties of 4-(2-aminoethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]benzamide?
4-(2-aminoethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]benzamide has a molecular weight of 264.39 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]benzamide is sourced from PubChem (CID 114115971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).