N-hex-5-ynyl-3-methylsulfanylpropanamide

C10H17NOS — CID 103757804

IUPACN-hex-5-ynyl-3-methylsulfanylpropanamide
SMILESC#CCCCCNC(=O)CCSC
InChIInChI=1S/C10H17NOS/c1-3-4-5-6-8-11-10(12)7-9-13-2/h1H,4-9H2,2H3,(H,11,12)
InChIKeyQTBDUPFXZUCPOW-UHFFFAOYSA-N
MW199.32 g/mol
LogP1.66
Rot. Bonds7

About N-hex-5-ynyl-3-methylsulfanylpropanamide

N-hex-5-ynyl-3-methylsulfanylpropanamide (PubChem CID 103757804) has the molecular formula C10H17NOS and a molecular weight of 199.32 g/mol. Its IUPAC name is N-hex-5-ynyl-3-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-hex-5-ynyl-3-methylsulfanylpropanamide
PubChem CID103757804
Molecular FormulaC10H17NOS
Molecular Weight199.32 g/mol
Exact Mass199.10
IUPAC NameN-hex-5-ynyl-3-methylsulfanylpropanamide
SMILESC#CCCCCNC(=O)CCSC
InChIInChI=1S/C10H17NOS/c1-3-4-5-6-8-11-10(12)7-9-13-2/h1H,4-9H2,2H3,(H,11,12)
InChIKeyQTBDUPFXZUCPOW-UHFFFAOYSA-N
XLogP1.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methylsulfanyl-N-pent-4-ynylpropanamide
CID 103708752
N-hex-5-ynyl-2-methylsulfonylacetamide
CID 103758108
N-hex-5-ynyl-3,3-dimethylbutanamide
CID 103758094
3-methylsulfanyl-N-propylpropanamide
CID 60637635
N-but-3-ynylhex-5-ynamide
CID 10630847
6-amino-N-hex-5-ynyl-4,4-dimethylhexanamide
CID 106213131
N-hex-5-ynylcyclopropanecarboxamide
CID 103758008
N-(4-hydroxybutyl)pent-4-ynamide
CID 87258816
2-cyano-N-hex-5-ynylacetamide
CID 104920077
N-hex-5-ynyl-2-(propan-2-ylamino)acetamide
CID 106213054
1-hex-5-ynyl-3-methylurea
CID 103757181
methyl N-hex-5-ynylcarbamate
CID 103758218

Frequently Asked Questions

What is the IUPAC name of N-hex-5-ynyl-3-methylsulfanylpropanamide?
The IUPAC name of N-hex-5-ynyl-3-methylsulfanylpropanamide (CID 103757804) is N-hex-5-ynyl-3-methylsulfanylpropanamide.
What is the SMILES notation for N-hex-5-ynyl-3-methylsulfanylpropanamide?
The canonical SMILES for N-hex-5-ynyl-3-methylsulfanylpropanamide is C#CCCCCNC(=O)CCSC.
What is the InChIKey of N-hex-5-ynyl-3-methylsulfanylpropanamide?
The InChIKey is QTBDUPFXZUCPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NOS/c1-3-4-5-6-8-11-10(12)7-9-13-2/h1H,4-9H2,2H3,(H,11,12).
What are the key properties of N-hex-5-ynyl-3-methylsulfanylpropanamide?
N-hex-5-ynyl-3-methylsulfanylpropanamide has a molecular weight of 199.32 g/mol, XLogP of 1.66, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-5-ynyl-3-methylsulfanylpropanamide is sourced from PubChem (CID 103757804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).