N-prop-2-ynyl-11-sulfanylundecanamide

C14H25NOS — CID 102527200

IUPACN-prop-2-ynyl-11-sulfanylundecanamide
SMILESC#CCNC(=O)CCCCCCCCCCS
InChIInChI=1S/C14H25NOS/c1-2-12-15-14(16)11-9-7-5-3-4-6-8-10-13-17/h1,17H,3-13H2,(H,15,16)
InChIKeyHHLPBGGUSWRJDS-UHFFFAOYSA-N
MW255.43 g/mol
LogP3.18
Rot. Bonds11

About N-prop-2-ynyl-11-sulfanylundecanamide

N-prop-2-ynyl-11-sulfanylundecanamide (PubChem CID 102527200) has the molecular formula C14H25NOS and a molecular weight of 255.43 g/mol. Its IUPAC name is N-prop-2-ynyl-11-sulfanylundecanamide.

Molecular Properties

Compound NameN-prop-2-ynyl-11-sulfanylundecanamide
PubChem CID102527200
Molecular FormulaC14H25NOS
Molecular Weight255.43 g/mol
Exact Mass255.17
IUPAC NameN-prop-2-ynyl-11-sulfanylundecanamide
SMILESC#CCNC(=O)CCCCCCCCCCS
InChIInChI=1S/C14H25NOS/c1-2-12-15-14(16)11-9-7-5-3-4-6-8-10-13-17/h1,17H,3-13H2,(H,15,16)
InChIKeyHHLPBGGUSWRJDS-UHFFFAOYSA-N
XLogP3.18
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.43
LogP ≤ 53.18
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'}

Analyze N-prop-2-ynyl-11-sulfanylundecanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N'-bis(prop-2-ynyl)octadec-9-enediamide
CID 90949780
6-oxo-6-(prop-2-ynylamino)hexanoic acid
CID 43529221
N,N'-bis(prop-2-ynyl)icos-10-enediamide;ethane
CID 143956023
4-amino-N-prop-2-ynylbutanamide
CID 24695167
19-(dimethylamino)-N-prop-2-ynylnonadec-10-enamide
CID 143956028
5-sulfanyl-N-(sulfanylmethyl)pentanamide
CID 86074626
N-methyl-6-sulfanylhexanamide
CID 58262294
N-hexyl-8-sulfanyloctanamide
CID 101094845
N-(5-sulfanylpentyl)hexanamide
CID 178061899
N-pentyl-11-sulfanylundecanamide
CID 102272005
methyl-[6-oxo-6-(prop-2-ynylamino)hexoxy]phosphinic acid
CID 122427742
4-oxo-N-prop-2-ynylpentanamide
CID 60646238

Frequently Asked Questions

What is the IUPAC name of N-prop-2-ynyl-11-sulfanylundecanamide?
The IUPAC name of N-prop-2-ynyl-11-sulfanylundecanamide (CID 102527200) is N-prop-2-ynyl-11-sulfanylundecanamide.
What is the SMILES notation for N-prop-2-ynyl-11-sulfanylundecanamide?
The canonical SMILES for N-prop-2-ynyl-11-sulfanylundecanamide is C#CCNC(=O)CCCCCCCCCCS.
What is the InChIKey of N-prop-2-ynyl-11-sulfanylundecanamide?
The InChIKey is HHLPBGGUSWRJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NOS/c1-2-12-15-14(16)11-9-7-5-3-4-6-8-10-13-17/h1,17H,3-13H2,(H,15,16).
What are the key properties of N-prop-2-ynyl-11-sulfanylundecanamide?
N-prop-2-ynyl-11-sulfanylundecanamide has a molecular weight of 255.43 g/mol, XLogP of 3.18, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-ynyl-11-sulfanylundecanamide is sourced from PubChem (CID 102527200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).