2-(aminomethyl)-N-[1-(4-methylsulfanylphenyl)ethyl]butanamide

C14H22N2OS — CID 65224904

IUPAC2-(aminomethyl)-N-[1-(4-methylsulfanylphenyl)ethyl]butanamide
SMILESCCC(CN)C(=O)NC(C)c1ccc(SC)cc1
InChIInChI=1S/C14H22N2OS/c1-4-11(9-15)14(17)16-10(2)12-5-7-13(18-3)8-6-12/h5-8,10-11H,4,9,15H2,1-3H3,(H,16,17)
InChIKeyDKNVKHDTYDENNX-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.57
Rot. Bonds6

About 2-(aminomethyl)-N-[1-(4-methylsulfanylphenyl)ethyl]butanamide

2-(aminomethyl)-N-[1-(4-methylsulfanylphenyl)ethyl]butanamide (PubChem CID 65224904) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[1-(4-methylsulfanylphenyl)ethyl]butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[1-(4-methylsulfanylphenyl)ethyl]butanamide
PubChem CID65224904
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name2-(aminomethyl)-N-[1-(4-methylsulfanylphenyl)ethyl]butanamide
SMILESCCC(CN)C(=O)NC(C)c1ccc(SC)cc1
InChIInChI=1S/C14H22N2OS/c1-4-11(9-15)14(17)16-10(2)12-5-7-13(18-3)8-6-12/h5-8,10-11H,4,9,15H2,1-3H3,(H,16,17)
InChIKeyDKNVKHDTYDENNX-UHFFFAOYSA-N
XLogP2.57
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-[1-(4-bromophenyl)ethyl]butanamide
CID 65228834
2-(aminomethyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]butanamide
CID 81354281
2-(aminomethyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]butanamide
CID 81354622
(2R)-2-amino-N-[1-(4-methylsulfanylphenyl)ethyl]propanamide
CID 78971913
2-chloro-N-[1-(4-methylsulfanylphenyl)ethyl]propanamide
CID 43698352
2-(aminomethyl)-N-[(4-methylsulfanylphenyl)methyl]butanamide
CID 115186990
3-amino-4-[1-(4-methylsulfanylphenyl)ethylamino]-4-oxobutanoic acid
CID 64894329
2-(aminomethyl)-N-[(1R)-1-pyridin-3-ylethyl]butanamide
CID 81405062
N-[2-[[(1S)-1-(4-methylsulfanylphenyl)ethyl]amino]-2-oxoethyl]propanamide
CID 94671225
2-(aminomethyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]-4,4-dimethylpentanamide
CID 107472487
2-hydroxyethyl N-[1-(4-methylsulfanylphenyl)ethyl]carbamate
CID 79346209
2-(aminomethyl)-N-[(1S)-1-(4-bromophenyl)ethyl]-4-methylpentanamide
CID 81359365

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[1-(4-methylsulfanylphenyl)ethyl]butanamide?
The IUPAC name of 2-(aminomethyl)-N-[1-(4-methylsulfanylphenyl)ethyl]butanamide (CID 65224904) is 2-(aminomethyl)-N-[1-(4-methylsulfanylphenyl)ethyl]butanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[1-(4-methylsulfanylphenyl)ethyl]butanamide?
The canonical SMILES for 2-(aminomethyl)-N-[1-(4-methylsulfanylphenyl)ethyl]butanamide is CCC(CN)C(=O)NC(C)c1ccc(SC)cc1.
What is the InChIKey of 2-(aminomethyl)-N-[1-(4-methylsulfanylphenyl)ethyl]butanamide?
The InChIKey is DKNVKHDTYDENNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-4-11(9-15)14(17)16-10(2)12-5-7-13(18-3)8-6-12/h5-8,10-11H,4,9,15H2,1-3H3,(H,16,17).
What are the key properties of 2-(aminomethyl)-N-[1-(4-methylsulfanylphenyl)ethyl]butanamide?
2-(aminomethyl)-N-[1-(4-methylsulfanylphenyl)ethyl]butanamide has a molecular weight of 266.41 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[1-(4-methylsulfanylphenyl)ethyl]butanamide is sourced from PubChem (CID 65224904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).