2-amino-N-(thiophen-3-ylmethyl)butanediamide

C9H13N3O2S — CID 63246274

IUPAC2-amino-N-(thiophen-3-ylmethyl)butanediamide
SMILESNC(=O)CC(N)C(=O)NCc1ccsc1
InChIInChI=1S/C9H13N3O2S/c10-7(3-8(11)13)9(14)12-4-6-1-2-15-5-6/h1-2,5,7H,3-4,10H2,(H2,11,13)(H,12,14)
InChIKeySGCQVRHSTALPKY-UHFFFAOYSA-N
MW227.29 g/mol
LogP-0.43
Rot. Bonds5

About 2-amino-N-(thiophen-3-ylmethyl)butanediamide

2-amino-N-(thiophen-3-ylmethyl)butanediamide (PubChem CID 63246274) has the molecular formula C9H13N3O2S and a molecular weight of 227.29 g/mol. Its IUPAC name is 2-amino-N-(thiophen-3-ylmethyl)butanediamide.

Molecular Properties

Compound Name2-amino-N-(thiophen-3-ylmethyl)butanediamide
PubChem CID63246274
Molecular FormulaC9H13N3O2S
Molecular Weight227.29 g/mol
Exact Mass227.07
IUPAC Name2-amino-N-(thiophen-3-ylmethyl)butanediamide
SMILESNC(=O)CC(N)C(=O)NCc1ccsc1
InChIInChI=1S/C9H13N3O2S/c10-7(3-8(11)13)9(14)12-4-6-1-2-15-5-6/h1-2,5,7H,3-4,10H2,(H2,11,13)(H,12,14)
InChIKeySGCQVRHSTALPKY-UHFFFAOYSA-N
XLogP-0.43
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-methyl-N-(thiophen-3-ylmethyl)pentanamide
CID 63246547
(2S)-2-amino-N-(thiophen-3-ylmethyl)butanamide
CID 79023085
2-amino-N-(1-thiophen-3-ylpropan-2-yl)butanediamide
CID 54954197
4-amino-4-oxo-2-(thiophen-3-ylmethylcarbamoylamino)butanoic acid
CID 63244227
3-amino-2-methyl-3-sulfanylidene-N-(thiophen-3-ylmethyl)propanamide
CID 63243923
2-carbamothioyl-3-methyl-N-(thiophen-3-ylmethyl)butanamide
CID 63243966
2-amino-2-(oxan-4-yl)-N-(thiophen-3-ylmethyl)acetamide;hydrochloride
CID 120786765
(2S)-2-amino-N-[(2-hydroxyphenyl)methyl]butanediamide
CID 96913231
2,3-dimethyl-4-oxo-4-(thiophen-3-ylmethylamino)butanoic acid
CID 103498386
2-(N'-hydroxycarbamimidoyl)-3-methyl-N-(thiophen-3-ylmethyl)butanamide
CID 76988786
2-[(2-amino-3-thiophen-3-ylpropanoyl)amino]acetic acid
CID 78069023
2-amino-N-(1,3-thiazol-2-ylmethyl)butanediamide
CID 61284261

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(thiophen-3-ylmethyl)butanediamide?
The IUPAC name of 2-amino-N-(thiophen-3-ylmethyl)butanediamide (CID 63246274) is 2-amino-N-(thiophen-3-ylmethyl)butanediamide.
What is the SMILES notation for 2-amino-N-(thiophen-3-ylmethyl)butanediamide?
The canonical SMILES for 2-amino-N-(thiophen-3-ylmethyl)butanediamide is NC(=O)CC(N)C(=O)NCc1ccsc1.
What is the InChIKey of 2-amino-N-(thiophen-3-ylmethyl)butanediamide?
The InChIKey is SGCQVRHSTALPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2S/c10-7(3-8(11)13)9(14)12-4-6-1-2-15-5-6/h1-2,5,7H,3-4,10H2,(H2,11,13)(H,12,14).
What are the key properties of 2-amino-N-(thiophen-3-ylmethyl)butanediamide?
2-amino-N-(thiophen-3-ylmethyl)butanediamide has a molecular weight of 227.29 g/mol, XLogP of -0.43, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(thiophen-3-ylmethyl)butanediamide is sourced from PubChem (CID 63246274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).