2-amino-N-(1-thiophen-3-ylpropan-2-yl)butanediamide

C11H17N3O2S — CID 54954197

IUPAC2-amino-N-(1-thiophen-3-ylpropan-2-yl)butanediamide
SMILESCC(Cc1ccsc1)NC(=O)C(N)CC(N)=O
InChIInChI=1S/C11H17N3O2S/c1-7(4-8-2-3-17-6-8)14-11(16)9(12)5-10(13)15/h2-3,6-7,9H,4-5,12H2,1H3,(H2,13,15)(H,14,16)
InChIKeyUUKTVCQUPNYDCU-UHFFFAOYSA-N
MW255.34 g/mol
LogP-0.00
Rot. Bonds6

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

2-amino-N-(1-thiophen-3-ylpropan-2-yl)butanediamide (PubChem CID 54954197) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 2-amino-N-(1-thiophen-3-ylpropan-2-yl)butanediamide.

Molecular Properties

Compound Name2-amino-N-(1-thiophen-3-ylpropan-2-yl)butanediamide
PubChem CID54954197
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name2-amino-N-(1-thiophen-3-ylpropan-2-yl)butanediamide
SMILESCC(Cc1ccsc1)NC(=O)C(N)CC(N)=O
InChIInChI=1S/C11H17N3O2S/c1-7(4-8-2-3-17-6-8)14-11(16)9(12)5-10(13)15/h2-3,6-7,9H,4-5,12H2,1H3,(H2,13,15)(H,14,16)
InChIKeyUUKTVCQUPNYDCU-UHFFFAOYSA-N
XLogP-0.00
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 5-0.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-3-methyl-N-(1-thiophen-3-ylpropan-2-yl)butanamide
CID 61474644
2-amino-N-(thiophen-3-ylmethyl)butanediamide
CID 63246274
1-thiophen-3-ylpropan-2-ylthiourea
CID 61473973
3-amino-2-phenyl-N-(1-thiophen-3-ylpropan-2-yl)propanamide
CID 62877508
3-(ethylamino)-N-(1-thiophen-3-ylpropan-2-yl)butanamide
CID 62831629
4-amino-3-methoxy-N-(1-thiophen-3-ylpropan-2-yl)butanamide
CID 103155651
3-amino-N-(1-thiophen-3-ylpropan-2-yl)thiophene-2-carboxamide
CID 54952813
3-(propan-2-ylamino)-N-(1-thiophen-3-ylpropan-2-yl)propanamide
CID 54953742
1-carbamothioyl-N-(1-thiophen-3-ylpropan-2-yl)cyclobutane-1-carboxamide
CID 80588942
N-(1-thiophen-3-ylpropan-2-yl)morpholine-4-carboxamide
CID 115589977
1-[(3R)-3-hydroxybutyl]-1-methyl-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea
CID 97324984
2-amino-4-methyl-N-(thiophen-3-ylmethyl)pentanamide
CID 63246547

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-thiophen-3-ylpropan-2-yl)butanediamide?
The IUPAC name of 2-amino-N-(1-thiophen-3-ylpropan-2-yl)butanediamide (CID 54954197) is 2-amino-N-(1-thiophen-3-ylpropan-2-yl)butanediamide.
What is the SMILES notation for 2-amino-N-(1-thiophen-3-ylpropan-2-yl)butanediamide?
The canonical SMILES for 2-amino-N-(1-thiophen-3-ylpropan-2-yl)butanediamide is CC(Cc1ccsc1)NC(=O)C(N)CC(N)=O.
What is the InChIKey of 2-amino-N-(1-thiophen-3-ylpropan-2-yl)butanediamide?
The InChIKey is UUKTVCQUPNYDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-7(4-8-2-3-17-6-8)14-11(16)9(12)5-10(13)15/h2-3,6-7,9H,4-5,12H2,1H3,(H2,13,15)(H,14,16).
What are the key properties of 2-amino-N-(1-thiophen-3-ylpropan-2-yl)butanediamide?
2-amino-N-(1-thiophen-3-ylpropan-2-yl)butanediamide has a molecular weight of 255.34 g/mol, XLogP of -0.00, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-thiophen-3-ylpropan-2-yl)butanediamide is sourced from PubChem (CID 54954197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).