N-[(E)-hept-2-en-2-yl]-3-sulfanylpropanamide

C10H19NOS — CID 174347362

IUPACN-[(E)-hept-2-en-2-yl]-3-sulfanylpropanamide
SMILESCCCC/C=C(\C)NC(=O)CCS
InChIInChI=1S/C10H19NOS/c1-3-4-5-6-9(2)11-10(12)7-8-13/h6,13H,3-5,7-8H2,1-2H3,(H,11,12)/b9-6+
InChIKeyNBZLQZCOBTVQIQ-RMKNXTFCSA-N
MW201.33 g/mol
LogP2.52
Rot. Bonds6

About N-[(E)-hept-2-en-2-yl]-3-sulfanylpropanamide

N-[(E)-hept-2-en-2-yl]-3-sulfanylpropanamide (PubChem CID 174347362) has the molecular formula C10H19NOS and a molecular weight of 201.33 g/mol. Its IUPAC name is N-[(E)-hept-2-en-2-yl]-3-sulfanylpropanamide.

Molecular Properties

Compound NameN-[(E)-hept-2-en-2-yl]-3-sulfanylpropanamide
PubChem CID174347362
Molecular FormulaC10H19NOS
Molecular Weight201.33 g/mol
Exact Mass201.12
IUPAC NameN-[(E)-hept-2-en-2-yl]-3-sulfanylpropanamide
SMILESCCCC/C=C(\C)NC(=O)CCS
InChIInChI=1S/C10H19NOS/c1-3-4-5-6-9(2)11-10(12)7-8-13/h6,13H,3-5,7-8H2,1-2H3,(H,11,12)/b9-6+
InChIKeyNBZLQZCOBTVQIQ-RMKNXTFCSA-N
XLogP2.52
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
LogP ≤ 52.52
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'}

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Related Compounds

4-sulfanyl-N-(3-sulfanylpropanoyl)butanamide
CID 23568508
(Z)-N-methylhept-2-en-2-amine
CID 90448408
N-[(2Z)-penta-2,4-dien-2-yl]pentanamide
CID 134525821
N-decanoyldecanamide
CID 87914075
N-acetylundecanamide
CID 18949728
N-(3-oxobutanoyl)pentanamide
CID 86030828
methyl (Z)-2-butylhept-2-enoate
CID 11550182
N-octanoyloctanamide;hydrobromide
CID 175059894
N-(acetylcarbamoyl)pentanamide
CID 57354637
methyl 2-pentylidenehexadecanoate
CID 174821215
N-[(Z)-hex-2-en-2-yl]-2-sulfanylpropanamide
CID 167119072
(E)-9-acetyltetradec-9-enoic acid
CID 87201562

Frequently Asked Questions

What is the IUPAC name of N-[(E)-hept-2-en-2-yl]-3-sulfanylpropanamide?
The IUPAC name of N-[(E)-hept-2-en-2-yl]-3-sulfanylpropanamide (CID 174347362) is N-[(E)-hept-2-en-2-yl]-3-sulfanylpropanamide.
What is the SMILES notation for N-[(E)-hept-2-en-2-yl]-3-sulfanylpropanamide?
The canonical SMILES for N-[(E)-hept-2-en-2-yl]-3-sulfanylpropanamide is CCCC/C=C(\C)NC(=O)CCS.
What is the InChIKey of N-[(E)-hept-2-en-2-yl]-3-sulfanylpropanamide?
The InChIKey is NBZLQZCOBTVQIQ-RMKNXTFCSA-N. The full InChI is InChI=1S/C10H19NOS/c1-3-4-5-6-9(2)11-10(12)7-8-13/h6,13H,3-5,7-8H2,1-2H3,(H,11,12)/b9-6+.
What are the key properties of N-[(E)-hept-2-en-2-yl]-3-sulfanylpropanamide?
N-[(E)-hept-2-en-2-yl]-3-sulfanylpropanamide has a molecular weight of 201.33 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-hept-2-en-2-yl]-3-sulfanylpropanamide is sourced from PubChem (CID 174347362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).