4-amino-4-methyl-N-[(1S)-1-thiophen-2-ylethyl]pentanamide

C12H20N2OS — CID 81409083

IUPAC4-amino-4-methyl-N-[(1S)-1-thiophen-2-ylethyl]pentanamide
SMILESC[C@H](NC(=O)CCC(C)(C)N)c1cccs1
InChIInChI=1S/C12H20N2OS/c1-9(10-5-4-8-16-10)14-11(15)6-7-12(2,3)13/h4-5,8-9H,6-7,13H2,1-3H3,(H,14,15)/t9-/m0/s1
InChIKeyZZPFWWNTDSOLTB-VIFPVBQESA-N
MW240.37 g/mol
LogP2.44
Rot. Bonds5

About 4-amino-4-methyl-N-[(1S)-1-thiophen-2-ylethyl]pentanamide

4-amino-4-methyl-N-[(1S)-1-thiophen-2-ylethyl]pentanamide (PubChem CID 81409083) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 4-amino-4-methyl-N-[(1S)-1-thiophen-2-ylethyl]pentanamide.

Molecular Properties

Compound Name4-amino-4-methyl-N-[(1S)-1-thiophen-2-ylethyl]pentanamide
PubChem CID81409083
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name4-amino-4-methyl-N-[(1S)-1-thiophen-2-ylethyl]pentanamide
SMILESC[C@H](NC(=O)CCC(C)(C)N)c1cccs1
InChIInChI=1S/C12H20N2OS/c1-9(10-5-4-8-16-10)14-11(15)6-7-12(2,3)13/h4-5,8-9H,6-7,13H2,1-3H3,(H,14,15)/t9-/m0/s1
InChIKeyZZPFWWNTDSOLTB-VIFPVBQESA-N
XLogP2.44
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(tert-butylamino)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 81408985
4-oxo-4-(1-thiophen-2-ylethylamino)butanoic acid
CID 43399724
tert-butyl 4-oxo-4-(1-thiophen-2-ylethylamino)butanoate
CID 106707023
3-(methylamino)-N-[(1S)-1-thiophen-2-ylethyl]propanamide
CID 81408507
5-chloro-N-[(1R)-1-thiophen-2-ylethyl]pentanamide
CID 81408351
5-chloro-N-(1-thiophen-2-ylethyl)pentanamide
CID 43347040
2-[(2-methylpropan-2-yl)oxy]-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 103940581
4-(methylamino)-N-(1-thiophen-2-ylethyl)butanamide
CID 60842051
2,2-dimethyl-N-[(1R)-1-thiophen-2-ylethyl]propanamide
CID 81408910
2-(4-aminophenyl)-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 81408318
3-(cyclopropylamino)-N-[(1S)-1-thiophen-2-ylethyl]propanamide
CID 81408603
3-phenoxy-N-(1-thiophen-2-ylethyl)propanamide
CID 110733991

Frequently Asked Questions

What is the IUPAC name of 4-amino-4-methyl-N-[(1S)-1-thiophen-2-ylethyl]pentanamide?
The IUPAC name of 4-amino-4-methyl-N-[(1S)-1-thiophen-2-ylethyl]pentanamide (CID 81409083) is 4-amino-4-methyl-N-[(1S)-1-thiophen-2-ylethyl]pentanamide.
What is the SMILES notation for 4-amino-4-methyl-N-[(1S)-1-thiophen-2-ylethyl]pentanamide?
The canonical SMILES for 4-amino-4-methyl-N-[(1S)-1-thiophen-2-ylethyl]pentanamide is C[C@H](NC(=O)CCC(C)(C)N)c1cccs1.
What is the InChIKey of 4-amino-4-methyl-N-[(1S)-1-thiophen-2-ylethyl]pentanamide?
The InChIKey is ZZPFWWNTDSOLTB-VIFPVBQESA-N. The full InChI is InChI=1S/C12H20N2OS/c1-9(10-5-4-8-16-10)14-11(15)6-7-12(2,3)13/h4-5,8-9H,6-7,13H2,1-3H3,(H,14,15)/t9-/m0/s1.
What are the key properties of 4-amino-4-methyl-N-[(1S)-1-thiophen-2-ylethyl]pentanamide?
4-amino-4-methyl-N-[(1S)-1-thiophen-2-ylethyl]pentanamide has a molecular weight of 240.37 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-methyl-N-[(1S)-1-thiophen-2-ylethyl]pentanamide is sourced from PubChem (CID 81409083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).