N-(3-sulfanylpropyl)prop-2-ynamide

C6H9NOS — CID 170149146

IUPACN-(3-sulfanylpropyl)prop-2-ynamide
SMILESC#CC(=O)NCCCS
InChIInChI=1S/C6H9NOS/c1-2-6(8)7-4-3-5-9/h1,9H,3-5H2,(H,7,8)
InChIKeyYKGCTARSOCMEQU-UHFFFAOYSA-N
MW143.21 g/mol
LogP0.06
Rot. Bonds3

About N-(3-sulfanylpropyl)prop-2-ynamide

N-(3-sulfanylpropyl)prop-2-ynamide (PubChem CID 170149146) has the molecular formula C6H9NOS and a molecular weight of 143.21 g/mol. Its IUPAC name is N-(3-sulfanylpropyl)prop-2-ynamide.

Molecular Properties

Compound NameN-(3-sulfanylpropyl)prop-2-ynamide
PubChem CID170149146
Molecular FormulaC6H9NOS
Molecular Weight143.21 g/mol
Exact Mass143.04
IUPAC NameN-(3-sulfanylpropyl)prop-2-ynamide
SMILESC#CC(=O)NCCCS
InChIInChI=1S/C6H9NOS/c1-2-6(8)7-4-3-5-9/h1,9H,3-5H2,(H,7,8)
InChIKeyYKGCTARSOCMEQU-UHFFFAOYSA-N
XLogP0.06
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.21
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(dimethylamino)propyl]prop-2-ynamide
CID 126549211
N-(2-acetamidoethyl)prop-2-ynamide
CID 130886003
N-(5-oxopentyl)prop-2-ynamide
CID 166777638
N-(3-sulfamoylpropyl)prop-2-ynamide
CID 61132242
N-[2-[2-[2-(prop-2-ynoylamino)ethoxy]ethoxy]ethyl]prop-2-ynamide
CID 89152541
N-[3-[3-[3-(but-1-en-3-yn-2-ylamino)propylamino]propylamino]propyl]prop-2-ynamide
CID 89382666
N-pent-3-ynylprop-2-ynamide
CID 104581196
N-[(3R)-3-hydroxybutyl]prop-2-ynamide
CID 130636793
methyl 3-(prop-2-ynoylamino)propanoate
CID 61294653
2-hydroxy-2-methyl-3-(prop-2-ynoylamino)propanoic acid
CID 66173410
4-sulfanyl-N-[2-(4-sulfanylbutanoylamino)ethyl]butanamide
CID 11817935
N-prop-2-ynyl-11-sulfanylundecanamide
CID 102527200

Frequently Asked Questions

What is the IUPAC name of N-(3-sulfanylpropyl)prop-2-ynamide?
The IUPAC name of N-(3-sulfanylpropyl)prop-2-ynamide (CID 170149146) is N-(3-sulfanylpropyl)prop-2-ynamide.
What is the SMILES notation for N-(3-sulfanylpropyl)prop-2-ynamide?
The canonical SMILES for N-(3-sulfanylpropyl)prop-2-ynamide is C#CC(=O)NCCCS.
What is the InChIKey of N-(3-sulfanylpropyl)prop-2-ynamide?
The InChIKey is YKGCTARSOCMEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NOS/c1-2-6(8)7-4-3-5-9/h1,9H,3-5H2,(H,7,8).
What are the key properties of N-(3-sulfanylpropyl)prop-2-ynamide?
N-(3-sulfanylpropyl)prop-2-ynamide has a molecular weight of 143.21 g/mol, XLogP of 0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-sulfanylpropyl)prop-2-ynamide is sourced from PubChem (CID 170149146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).