2-amino-2-methyl-N-(1-thiophen-3-ylpropan-2-yl)butanamide

C12H20N2OS — CID 79805381

IUPAC2-amino-2-methyl-N-(1-thiophen-3-ylpropan-2-yl)butanamide
SMILESCCC(C)(N)C(=O)NC(C)Cc1ccsc1
InChIInChI=1S/C12H20N2OS/c1-4-12(3,13)11(15)14-9(2)7-10-5-6-16-8-10/h5-6,8-9H,4,7,13H2,1-3H3,(H,14,15)
InChIKeySFWLCXCMJBBOPJ-UHFFFAOYSA-N
MW240.37 g/mol
LogP1.92
Rot. Bonds5

About 2-amino-2-methyl-N-(1-thiophen-3-ylpropan-2-yl)butanamide

2-amino-2-methyl-N-(1-thiophen-3-ylpropan-2-yl)butanamide (PubChem CID 79805381) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 2-amino-2-methyl-N-(1-thiophen-3-ylpropan-2-yl)butanamide.

Molecular Properties

Compound Name2-amino-2-methyl-N-(1-thiophen-3-ylpropan-2-yl)butanamide
PubChem CID79805381
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name2-amino-2-methyl-N-(1-thiophen-3-ylpropan-2-yl)butanamide
SMILESCCC(C)(N)C(=O)NC(C)Cc1ccsc1
InChIInChI=1S/C12H20N2OS/c1-4-12(3,13)11(15)14-9(2)7-10-5-6-16-8-10/h5-6,8-9H,4,7,13H2,1-3H3,(H,14,15)
InChIKeySFWLCXCMJBBOPJ-UHFFFAOYSA-N
XLogP1.92
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 ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3-methyl-N-(1-thiophen-3-ylpropan-2-yl)butanamide
CID 61474644
1-thiophen-3-ylpropan-2-ylthiourea
CID 61473973
3,3-dimethyl-5-oxo-5-(1-thiophen-3-ylpropan-2-ylamino)pentanoic acid
CID 62934254
(2R)-3,3-dimethyl-2-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)butanoic acid
CID 103927769
N-(1-thiophen-3-ylpropan-2-yl)prop-2-enamide
CID 61473728
3-(ethylamino)-N-(1-thiophen-3-ylpropan-2-yl)butanamide
CID 62831629
4-(ethylamino)-N-(1-thiophen-3-ylpropan-2-yl)benzamide
CID 62177548
2-amino-N-(1-thiophen-3-ylpropan-2-yl)butanediamide
CID 54954197
2,2-dimethyl-3-(1-thiophen-3-ylpropan-2-ylamino)propanoic acid
CID 79623332
3-amino-N-(1-thiophen-3-ylpropan-2-yl)thiophene-2-carboxamide
CID 54952813
2-amino-N,2-dimethyl-N-(thiophen-3-ylmethyl)butanamide
CID 79797348
3-(propan-2-ylamino)-N-(1-thiophen-3-ylpropan-2-yl)propanamide
CID 54953742

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-N-(1-thiophen-3-ylpropan-2-yl)butanamide?
The IUPAC name of 2-amino-2-methyl-N-(1-thiophen-3-ylpropan-2-yl)butanamide (CID 79805381) is 2-amino-2-methyl-N-(1-thiophen-3-ylpropan-2-yl)butanamide.
What is the SMILES notation for 2-amino-2-methyl-N-(1-thiophen-3-ylpropan-2-yl)butanamide?
The canonical SMILES for 2-amino-2-methyl-N-(1-thiophen-3-ylpropan-2-yl)butanamide is CCC(C)(N)C(=O)NC(C)Cc1ccsc1.
What is the InChIKey of 2-amino-2-methyl-N-(1-thiophen-3-ylpropan-2-yl)butanamide?
The InChIKey is SFWLCXCMJBBOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-4-12(3,13)11(15)14-9(2)7-10-5-6-16-8-10/h5-6,8-9H,4,7,13H2,1-3H3,(H,14,15).
What are the key properties of 2-amino-2-methyl-N-(1-thiophen-3-ylpropan-2-yl)butanamide?
2-amino-2-methyl-N-(1-thiophen-3-ylpropan-2-yl)butanamide has a molecular weight of 240.37 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-N-(1-thiophen-3-ylpropan-2-yl)butanamide is sourced from PubChem (CID 79805381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).