3-(2-amino-2-oxoethyl)sulfanyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide

C10H18N2O3S — CID 80716632

IUPAC3-(2-amino-2-oxoethyl)sulfanyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide
SMILESNC(=O)CSCCC(=O)NCC1(CO)CC1
InChIInChI=1S/C10H18N2O3S/c11-8(14)5-16-4-1-9(15)12-6-10(7-13)2-3-10/h13H,1-7H2,(H2,11,14)(H,12,15)
InChIKeyNYBXIQRPWHZYSO-UHFFFAOYSA-N
MW246.33 g/mol
LogP-0.52
Rot. Bonds8

About 3-(2-amino-2-oxoethyl)sulfanyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide

3-(2-amino-2-oxoethyl)sulfanyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide (PubChem CID 80716632) has the molecular formula C10H18N2O3S and a molecular weight of 246.33 g/mol. Its IUPAC name is 3-(2-amino-2-oxoethyl)sulfanyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide.

Molecular Properties

Compound Name3-(2-amino-2-oxoethyl)sulfanyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide
PubChem CID80716632
Molecular FormulaC10H18N2O3S
Molecular Weight246.33 g/mol
Exact Mass246.10
IUPAC Name3-(2-amino-2-oxoethyl)sulfanyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide
SMILESNC(=O)CSCCC(=O)NCC1(CO)CC1
InChIInChI=1S/C10H18N2O3S/c11-8(14)5-16-4-1-9(15)12-6-10(7-13)2-3-10/h13H,1-7H2,(H2,11,14)(H,12,15)
InChIKeyNYBXIQRPWHZYSO-UHFFFAOYSA-N
XLogP-0.52
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-2-oxoethyl)sulfanyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide?
The IUPAC name of 3-(2-amino-2-oxoethyl)sulfanyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide (CID 80716632) is 3-(2-amino-2-oxoethyl)sulfanyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide.
What is the SMILES notation for 3-(2-amino-2-oxoethyl)sulfanyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide?
The canonical SMILES for 3-(2-amino-2-oxoethyl)sulfanyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide is NC(=O)CSCCC(=O)NCC1(CO)CC1.
What is the InChIKey of 3-(2-amino-2-oxoethyl)sulfanyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide?
The InChIKey is NYBXIQRPWHZYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3S/c11-8(14)5-16-4-1-9(15)12-6-10(7-13)2-3-10/h13H,1-7H2,(H2,11,14)(H,12,15).
What are the key properties of 3-(2-amino-2-oxoethyl)sulfanyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide?
3-(2-amino-2-oxoethyl)sulfanyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide has a molecular weight of 246.33 g/mol, XLogP of -0.52, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-2-oxoethyl)sulfanyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide is sourced from PubChem (CID 80716632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).