N-(2-cyclopropylethyl)-2-(1-sulfanylethylamino)acetamide

C9H18N2OS — CID 155484883

IUPACN-(2-cyclopropylethyl)-2-(1-sulfanylethylamino)acetamide
SMILESCC(S)NCC(=O)NCCC1CC1
InChIInChI=1S/C9H18N2OS/c1-7(13)11-6-9(12)10-5-4-8-2-3-8/h7-8,11,13H,2-6H2,1H3,(H,10,12)
InChIKeyRSCUENLEPNFEJR-UHFFFAOYSA-N
MW202.32 g/mol
LogP0.77
Rot. Bonds6

About N-(2-cyclopropylethyl)-2-(1-sulfanylethylamino)acetamide

N-(2-cyclopropylethyl)-2-(1-sulfanylethylamino)acetamide (PubChem CID 155484883) has the molecular formula C9H18N2OS and a molecular weight of 202.32 g/mol. Its IUPAC name is N-(2-cyclopropylethyl)-2-(1-sulfanylethylamino)acetamide.

Molecular Properties

Compound NameN-(2-cyclopropylethyl)-2-(1-sulfanylethylamino)acetamide
PubChem CID155484883
Molecular FormulaC9H18N2OS
Molecular Weight202.32 g/mol
Exact Mass202.11
IUPAC NameN-(2-cyclopropylethyl)-2-(1-sulfanylethylamino)acetamide
SMILESCC(S)NCC(=O)NCCC1CC1
InChIInChI=1S/C9H18N2OS/c1-7(13)11-6-9(12)10-5-4-8-2-3-8/h7-8,11,13H,2-6H2,1H3,(H,10,12)
InChIKeyRSCUENLEPNFEJR-UHFFFAOYSA-N
XLogP0.77
TPSA41.13 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropylethyl)-2-(1-sulfanylethylamino)acetamide?
The IUPAC name of N-(2-cyclopropylethyl)-2-(1-sulfanylethylamino)acetamide (CID 155484883) is N-(2-cyclopropylethyl)-2-(1-sulfanylethylamino)acetamide.
What is the SMILES notation for N-(2-cyclopropylethyl)-2-(1-sulfanylethylamino)acetamide?
The canonical SMILES for N-(2-cyclopropylethyl)-2-(1-sulfanylethylamino)acetamide is CC(S)NCC(=O)NCCC1CC1.
What is the InChIKey of N-(2-cyclopropylethyl)-2-(1-sulfanylethylamino)acetamide?
The InChIKey is RSCUENLEPNFEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2OS/c1-7(13)11-6-9(12)10-5-4-8-2-3-8/h7-8,11,13H,2-6H2,1H3,(H,10,12).
What are the key properties of N-(2-cyclopropylethyl)-2-(1-sulfanylethylamino)acetamide?
N-(2-cyclopropylethyl)-2-(1-sulfanylethylamino)acetamide has a molecular weight of 202.32 g/mol, XLogP of 0.77, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropylethyl)-2-(1-sulfanylethylamino)acetamide is sourced from PubChem (CID 155484883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).