N-[2-(2-aminoethylamino)-2-oxoethyl]-2-sulfanylpropanamide

C7H15N3O2S — CID 131862944

IUPACN-[2-(2-aminoethylamino)-2-oxoethyl]-2-sulfanylpropanamide
SMILESCC(S)C(=O)NCC(=O)NCCN
InChIInChI=1S/C7H15N3O2S/c1-5(13)7(12)10-4-6(11)9-3-2-8/h5,13H,2-4,8H2,1H3,(H,9,11)(H,10,12)
InChIKeyATMYLYVUEFYGPL-UHFFFAOYSA-N
MW205.28 g/mol
LogP-1.50
Rot. Bonds5

About N-[2-(2-aminoethylamino)-2-oxoethyl]-2-sulfanylpropanamide

N-[2-(2-aminoethylamino)-2-oxoethyl]-2-sulfanylpropanamide (PubChem CID 131862944) has the molecular formula C7H15N3O2S and a molecular weight of 205.28 g/mol. Its IUPAC name is N-[2-(2-aminoethylamino)-2-oxoethyl]-2-sulfanylpropanamide.

Molecular Properties

Compound NameN-[2-(2-aminoethylamino)-2-oxoethyl]-2-sulfanylpropanamide
PubChem CID131862944
Molecular FormulaC7H15N3O2S
Molecular Weight205.28 g/mol
Exact Mass205.09
IUPAC NameN-[2-(2-aminoethylamino)-2-oxoethyl]-2-sulfanylpropanamide
SMILESCC(S)C(=O)NCC(=O)NCCN
InChIInChI=1S/C7H15N3O2S/c1-5(13)7(12)10-4-6(11)9-3-2-8/h5,13H,2-4,8H2,1H3,(H,9,11)(H,10,12)
InChIKeyATMYLYVUEFYGPL-UHFFFAOYSA-N
XLogP-1.50
TPSA84.22 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
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': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

ethane;(2R)-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-sulfanylpropanamide
CID 145330870
2-(2-sulfanylpropanoylamino)acetic acid
CID 5483
sodium 2-[[(2R)-2-sulfanylpropanoyl]amino]acetate
CID 76968776
N-(2-aminoethyl)-2-chloropropanamide
CID 61250987
5-amino-N-[2-(ethylamino)-2-oxoethyl]-2-methylpentanamide
CID 104683686
2-[(2-aminoacetyl)amino]-N-[2-oxo-2-(2-sulfanylethylamino)ethyl]butanamide
CID 123492581
5-amino-2-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]pentanamide
CID 104685574
3-chloro-2-methyl-N-[2-oxo-2-(propylamino)ethyl]propanamide
CID 62729229
propan-2-yl 2-[[(2S)-2-sulfanylpropanoyl]amino]acetate
CID 124677164
2-(2-sulfanylpropanoylamino)ethyl carbamate
CID 107034140
propan-2-yl 2-(2-sulfanylpropanoylamino)acetate
CID 86138159
N-(2-aminoethyl)-3-oxobutanamide
CID 3020471

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoethylamino)-2-oxoethyl]-2-sulfanylpropanamide?
The IUPAC name of N-[2-(2-aminoethylamino)-2-oxoethyl]-2-sulfanylpropanamide (CID 131862944) is N-[2-(2-aminoethylamino)-2-oxoethyl]-2-sulfanylpropanamide.
What is the SMILES notation for N-[2-(2-aminoethylamino)-2-oxoethyl]-2-sulfanylpropanamide?
The canonical SMILES for N-[2-(2-aminoethylamino)-2-oxoethyl]-2-sulfanylpropanamide is CC(S)C(=O)NCC(=O)NCCN.
What is the InChIKey of N-[2-(2-aminoethylamino)-2-oxoethyl]-2-sulfanylpropanamide?
The InChIKey is ATMYLYVUEFYGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O2S/c1-5(13)7(12)10-4-6(11)9-3-2-8/h5,13H,2-4,8H2,1H3,(H,9,11)(H,10,12).
What are the key properties of N-[2-(2-aminoethylamino)-2-oxoethyl]-2-sulfanylpropanamide?
N-[2-(2-aminoethylamino)-2-oxoethyl]-2-sulfanylpropanamide has a molecular weight of 205.28 g/mol, XLogP of -1.50, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethylamino)-2-oxoethyl]-2-sulfanylpropanamide is sourced from PubChem (CID 131862944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).