2-[[(1R)-1-thiophen-2-ylethyl]carbamoylamino]propanediamide

C10H14N4O3S — CID 36974814

IUPAC2-[[(1R)-1-thiophen-2-ylethyl]carbamoylamino]propanediamide
SMILESC[C@@H](NC(=O)NC(C(N)=O)C(N)=O)c1cccs1
InChIInChI=1S/C10H14N4O3S/c1-5(6-3-2-4-18-6)13-10(17)14-7(8(11)15)9(12)16/h2-5,7H,1H3,(H2,11,15)(H2,12,16)(H2,13,14,17)/t5-/m1/s1
InChIKeyZISPQRJBFIFXDU-RXMQYKEDSA-N
MW270.31 g/mol
LogP-0.55
Rot. Bonds5

About 2-[[(1R)-1-thiophen-2-ylethyl]carbamoylamino]propanediamide

2-[[(1R)-1-thiophen-2-ylethyl]carbamoylamino]propanediamide (PubChem CID 36974814) has the molecular formula C10H14N4O3S and a molecular weight of 270.31 g/mol. Its IUPAC name is 2-[[(1R)-1-thiophen-2-ylethyl]carbamoylamino]propanediamide.

Molecular Properties

Compound Name2-[[(1R)-1-thiophen-2-ylethyl]carbamoylamino]propanediamide
PubChem CID36974814
Molecular FormulaC10H14N4O3S
Molecular Weight270.31 g/mol
Exact Mass270.08
IUPAC Name2-[[(1R)-1-thiophen-2-ylethyl]carbamoylamino]propanediamide
SMILESC[C@@H](NC(=O)NC(C(N)=O)C(N)=O)c1cccs1
InChIInChI=1S/C10H14N4O3S/c1-5(6-3-2-4-18-6)13-10(17)14-7(8(11)15)9(12)16/h2-5,7H,1H3,(H2,11,15)(H2,12,16)(H2,13,14,17)/t5-/m1/s1
InChIKeyZISPQRJBFIFXDU-RXMQYKEDSA-N
XLogP-0.55
TPSA127.31 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 5-0.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(2S)-3-methyl-2-(1-thiophen-2-ylethylcarbamoylamino)butanoic acid
CID 61199612
2,2-dimethyl-N-[(1R)-1-thiophen-2-ylethyl]propanamide
CID 81408910
1-phenyl-3-[(1R)-1-thiophen-2-ylethyl]urea
CID 1158599
1-phenyl-3-[(1S)-1-thiophen-2-ylethyl]urea
CID 1158597
1-[(2S)-4-methylsulfonylbutan-2-yl]-3-[(1R)-1-thiophen-2-ylethyl]urea
CID 97227304
1,3-bis(2-methyl-1-thiophen-2-ylpropyl)urea
CID 47023834
N-[(1R)-1-thiophen-2-ylethyl]prop-2-enamide
CID 81408740
methyl 2-oxo-2-(1-thiophen-2-ylethylamino)acetate
CID 112616741
N-[(1S)-1-thiophen-2-ylethyl]benzamide
CID 768439
(2S)-2-hydroxy-3-(1-thiophen-2-ylethylcarbamoylamino)propanoic acid
CID 107838444
2,2,3-trimethyl-3-(1-thiophen-2-ylethylcarbamoylamino)butanoic acid
CID 65265950
1-(3-chloro-2-fluorophenyl)-3-(1-thiophen-2-ylethyl)urea
CID 47133061

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-thiophen-2-ylethyl]carbamoylamino]propanediamide?
The IUPAC name of 2-[[(1R)-1-thiophen-2-ylethyl]carbamoylamino]propanediamide (CID 36974814) is 2-[[(1R)-1-thiophen-2-ylethyl]carbamoylamino]propanediamide.
What is the SMILES notation for 2-[[(1R)-1-thiophen-2-ylethyl]carbamoylamino]propanediamide?
The canonical SMILES for 2-[[(1R)-1-thiophen-2-ylethyl]carbamoylamino]propanediamide is C[C@@H](NC(=O)NC(C(N)=O)C(N)=O)c1cccs1.
What is the InChIKey of 2-[[(1R)-1-thiophen-2-ylethyl]carbamoylamino]propanediamide?
The InChIKey is ZISPQRJBFIFXDU-RXMQYKEDSA-N. The full InChI is InChI=1S/C10H14N4O3S/c1-5(6-3-2-4-18-6)13-10(17)14-7(8(11)15)9(12)16/h2-5,7H,1H3,(H2,11,15)(H2,12,16)(H2,13,14,17)/t5-/m1/s1.
What are the key properties of 2-[[(1R)-1-thiophen-2-ylethyl]carbamoylamino]propanediamide?
2-[[(1R)-1-thiophen-2-ylethyl]carbamoylamino]propanediamide has a molecular weight of 270.31 g/mol, XLogP of -0.55, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1-thiophen-2-ylethyl]carbamoylamino]propanediamide is sourced from PubChem (CID 36974814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).