N-[2-[(2-aminoacetyl)amino]ethyl]-3-sulfanylpropanamide

C7H15N3O2S — CID 140976881

IUPACN-[2-[(2-aminoacetyl)amino]ethyl]-3-sulfanylpropanamide
SMILESNCC(=O)NCCNC(=O)CCS
InChIInChI=1S/C7H15N3O2S/c8-5-7(12)10-3-2-9-6(11)1-4-13/h13H,1-5,8H2,(H,9,11)(H,10,12)
InChIKeyLOINSCOBWGIGPD-UHFFFAOYSA-N
MW205.28 g/mol
LogP-1.50
Rot. Bonds6

About N-[2-[(2-aminoacetyl)amino]ethyl]-3-sulfanylpropanamide

N-[2-[(2-aminoacetyl)amino]ethyl]-3-sulfanylpropanamide (PubChem CID 140976881) has the molecular formula C7H15N3O2S and a molecular weight of 205.28 g/mol. Its IUPAC name is N-[2-[(2-aminoacetyl)amino]ethyl]-3-sulfanylpropanamide.

Molecular Properties

Compound NameN-[2-[(2-aminoacetyl)amino]ethyl]-3-sulfanylpropanamide
PubChem CID140976881
Molecular FormulaC7H15N3O2S
Molecular Weight205.28 g/mol
Exact Mass205.09
IUPAC NameN-[2-[(2-aminoacetyl)amino]ethyl]-3-sulfanylpropanamide
SMILESNCC(=O)NCCNC(=O)CCS
InChIInChI=1S/C7H15N3O2S/c8-5-7(12)10-3-2-9-6(11)1-4-13/h13H,1-5,8H2,(H,9,11)(H,10,12)
InChIKeyLOINSCOBWGIGPD-UHFFFAOYSA-N
XLogP-1.50
TPSA84.22 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 5-1.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-(aminomethyl)-3-sulfanylpropanamide
CID 117126503
4-sulfanyl-N-[2-(4-sulfanylbutanoylamino)ethyl]butanamide
CID 11817935
N-[2-(3-sulfanylpropanoylamino)ethyl]cyclopropanecarboxamide
CID 107035440
2-[2-[(2-aminoacetyl)amino]ethylamino]-4-sulfanylbutanoic acid
CID 10130890
6-[(2-aminoacetyl)amino]-N-(2-oxoethyl)hexanamide
CID 91393325
3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-[2-(3-sulfanylpropanoylamino)ethyl]propanamide
CID 101361634
4-[(2-aminoacetyl)amino]-N-ethylbutanamide
CID 138468390
N'-(2-sulfanylethyl)butanediamide
CID 15293890
N-(2-methoxyethyl)-3-(3-sulfanylpropanoylamino)propanamide
CID 107034705
2-amino-N-[2-[bis[2-[(2-aminoacetyl)amino]ethyl]amino]ethyl]acetamide
CID 59349236
2-amino-N-[2-(dimethylamino)ethyl]acetamide;dihydrochloride
CID 56832115
2-amino-N-[2-[(3-amino-2-oxopropyl)amino]ethyl]acetamide
CID 118189326

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-aminoacetyl)amino]ethyl]-3-sulfanylpropanamide?
The IUPAC name of N-[2-[(2-aminoacetyl)amino]ethyl]-3-sulfanylpropanamide (CID 140976881) is N-[2-[(2-aminoacetyl)amino]ethyl]-3-sulfanylpropanamide.
What is the SMILES notation for N-[2-[(2-aminoacetyl)amino]ethyl]-3-sulfanylpropanamide?
The canonical SMILES for N-[2-[(2-aminoacetyl)amino]ethyl]-3-sulfanylpropanamide is NCC(=O)NCCNC(=O)CCS.
What is the InChIKey of N-[2-[(2-aminoacetyl)amino]ethyl]-3-sulfanylpropanamide?
The InChIKey is LOINSCOBWGIGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O2S/c8-5-7(12)10-3-2-9-6(11)1-4-13/h13H,1-5,8H2,(H,9,11)(H,10,12).
What are the key properties of N-[2-[(2-aminoacetyl)amino]ethyl]-3-sulfanylpropanamide?
N-[2-[(2-aminoacetyl)amino]ethyl]-3-sulfanylpropanamide has a molecular weight of 205.28 g/mol, XLogP of -1.50, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-aminoacetyl)amino]ethyl]-3-sulfanylpropanamide is sourced from PubChem (CID 140976881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).