(3S)-3-(aminomethyl)-N,5-dimethyl-N-(2-thiophen-2-ylethyl)hexanamide

C15H26N2OS — CID 79493813

IUPAC(3S)-3-(aminomethyl)-N,5-dimethyl-N-(2-thiophen-2-ylethyl)hexanamide
SMILESCC(C)C[C@H](CN)CC(=O)N(C)CCc1cccs1
InChIInChI=1S/C15H26N2OS/c1-12(2)9-13(11-16)10-15(18)17(3)7-6-14-5-4-8-19-14/h4-5,8,12-13H,6-7,9-11,16H2,1-3H3/t13-/m0/s1
InChIKeyMMHMLORXHGHGSW-ZDUSSCGKSA-N
MW282.45 g/mol
LogP2.76
Rot. Bonds8

About (3S)-3-(aminomethyl)-N,5-dimethyl-N-(2-thiophen-2-ylethyl)hexanamide

(3S)-3-(aminomethyl)-N,5-dimethyl-N-(2-thiophen-2-ylethyl)hexanamide (PubChem CID 79493813) has the molecular formula C15H26N2OS and a molecular weight of 282.45 g/mol. Its IUPAC name is (3S)-3-(aminomethyl)-N,5-dimethyl-N-(2-thiophen-2-ylethyl)hexanamide.

Molecular Properties

Compound Name(3S)-3-(aminomethyl)-N,5-dimethyl-N-(2-thiophen-2-ylethyl)hexanamide
PubChem CID79493813
Molecular FormulaC15H26N2OS
Molecular Weight282.45 g/mol
Exact Mass282.18
IUPAC Name(3S)-3-(aminomethyl)-N,5-dimethyl-N-(2-thiophen-2-ylethyl)hexanamide
SMILESCC(C)C[C@H](CN)CC(=O)N(C)CCc1cccs1
InChIInChI=1S/C15H26N2OS/c1-12(2)9-13(11-16)10-15(18)17(3)7-6-14-5-4-8-19-14/h4-5,8,12-13H,6-7,9-11,16H2,1-3H3/t13-/m0/s1
InChIKeyMMHMLORXHGHGSW-ZDUSSCGKSA-N
XLogP2.76
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-5-[methyl(2-thiophen-2-ylethyl)amino]-5-oxopentanoic acid
CID 79475565
N'-methyl-2-(2-methylpropyl)-N'-(2-thiophen-2-ylethyl)butane-1,4-diamine
CID 79488348
4-amino-N-methyl-N-(2-thiophen-2-ylethyl)pentanamide
CID 79494506
N-methyl-3-sulfanyl-N-(2-thiophen-2-ylethyl)propanamide
CID 107032192
2-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)butanamide
CID 79493734
4-methyl-2-[[methyl(2-thiophen-2-ylethyl)carbamoyl]amino]pentanoic acid
CID 79487438
2-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)pentanamide
CID 79494668
(2S)-2-amino-3-methyl-N-[2-[methyl(2-thiophen-2-ylethyl)amino]-2-oxoethyl]butanamide
CID 82962492
2-amino-N-methyl-2-phenyl-N-(2-thiophen-2-ylethyl)acetamide
CID 79494111
5-[methyl(2-thiophen-2-ylethyl)amino]-5-oxopentanoic acid
CID 79476519
methyl 4-[methyl(2-thiophen-2-ylethyl)amino]-4-oxobutanoate
CID 110733429
2-amino-N,3-dimethyl-N-(2-thiophen-2-ylethyl)pentanamide
CID 79494038

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(aminomethyl)-N,5-dimethyl-N-(2-thiophen-2-ylethyl)hexanamide?
The IUPAC name of (3S)-3-(aminomethyl)-N,5-dimethyl-N-(2-thiophen-2-ylethyl)hexanamide (CID 79493813) is (3S)-3-(aminomethyl)-N,5-dimethyl-N-(2-thiophen-2-ylethyl)hexanamide.
What is the SMILES notation for (3S)-3-(aminomethyl)-N,5-dimethyl-N-(2-thiophen-2-ylethyl)hexanamide?
The canonical SMILES for (3S)-3-(aminomethyl)-N,5-dimethyl-N-(2-thiophen-2-ylethyl)hexanamide is CC(C)C[C@H](CN)CC(=O)N(C)CCc1cccs1.
What is the InChIKey of (3S)-3-(aminomethyl)-N,5-dimethyl-N-(2-thiophen-2-ylethyl)hexanamide?
The InChIKey is MMHMLORXHGHGSW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H26N2OS/c1-12(2)9-13(11-16)10-15(18)17(3)7-6-14-5-4-8-19-14/h4-5,8,12-13H,6-7,9-11,16H2,1-3H3/t13-/m0/s1.
What are the key properties of (3S)-3-(aminomethyl)-N,5-dimethyl-N-(2-thiophen-2-ylethyl)hexanamide?
(3S)-3-(aminomethyl)-N,5-dimethyl-N-(2-thiophen-2-ylethyl)hexanamide has a molecular weight of 282.45 g/mol, XLogP of 2.76, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(aminomethyl)-N,5-dimethyl-N-(2-thiophen-2-ylethyl)hexanamide is sourced from PubChem (CID 79493813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).