N-(3-amino-3-sulfanylidenepropyl)-2-cyclopropylpropanamide

C9H16N2OS — CID 83155195

IUPACN-(3-amino-3-sulfanylidenepropyl)-2-cyclopropylpropanamide
SMILESCC(C(=O)NCCC(N)=S)C1CC1
InChIInChI=1S/C9H16N2OS/c1-6(7-2-3-7)9(12)11-5-4-8(10)13/h6-7H,2-5H2,1H3,(H2,10,13)(H,11,12)
InChIKeyOACOCJNXBQEFGA-UHFFFAOYSA-N
MW200.31 g/mol
LogP0.82
Rot. Bonds5

About N-(3-amino-3-sulfanylidenepropyl)-2-cyclopropylpropanamide

N-(3-amino-3-sulfanylidenepropyl)-2-cyclopropylpropanamide (PubChem CID 83155195) has the molecular formula C9H16N2OS and a molecular weight of 200.31 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-2-cyclopropylpropanamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-2-cyclopropylpropanamide
PubChem CID83155195
Molecular FormulaC9H16N2OS
Molecular Weight200.31 g/mol
Exact Mass200.10
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-2-cyclopropylpropanamide
SMILESCC(C(=O)NCCC(N)=S)C1CC1
InChIInChI=1S/C9H16N2OS/c1-6(7-2-3-7)9(12)11-5-4-8(10)13/h6-7H,2-5H2,1H3,(H2,10,13)(H,11,12)
InChIKeyOACOCJNXBQEFGA-UHFFFAOYSA-N
XLogP0.82
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(5-amino-5-sulfanylidenepentyl)-2-cyclopropylpropanamide
CID 83155013
N-(2-amino-2-oxoethyl)-2-cyclopropylpropanamide
CID 79505889
N-(2-bromoethyl)-2-cyclopropylpropanamide
CID 83154146
3-(2-cyclopropylpropanoylamino)-2-hydroxypropanamide
CID 106164214
2-cyclopropyl-N-(3-hydroxypropyl)propanamide
CID 81449535
5-(2-cyclopropylpropanoylamino)pentanoic acid
CID 83146562
2-cyclopropyl-N-[2-(propylamino)ethyl]propanamide
CID 115563513
N-(2-amino-3-hydroxybutyl)-2-cyclopropylpropanamide
CID 83148940
(2-cyclopropylpropanoylamino)urea
CID 83150747
N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-2-cyclopropylpropanamide
CID 83154806
N-(4-chloropentyl)-2-cyclopropylpropanamide
CID 106129419
2-cyclopropyl-N-(2-methylprop-2-enyl)propanamide
CID 114619048

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-2-cyclopropylpropanamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-2-cyclopropylpropanamide (CID 83155195) is N-(3-amino-3-sulfanylidenepropyl)-2-cyclopropylpropanamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-2-cyclopropylpropanamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-2-cyclopropylpropanamide is CC(C(=O)NCCC(N)=S)C1CC1.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-2-cyclopropylpropanamide?
The InChIKey is OACOCJNXBQEFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS/c1-6(7-2-3-7)9(12)11-5-4-8(10)13/h6-7H,2-5H2,1H3,(H2,10,13)(H,11,12).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-2-cyclopropylpropanamide?
N-(3-amino-3-sulfanylidenepropyl)-2-cyclopropylpropanamide has a molecular weight of 200.31 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-sulfanylidenepropyl)-2-cyclopropylpropanamide is sourced from PubChem (CID 83155195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).