N-[[5-(4-hydroxybut-1-ynyl)thiophen-3-yl]methyl]-N-methylpentanamide

C15H21NO2S — CID 54986526

IUPACN-[[5-(4-hydroxybut-1-ynyl)thiophen-3-yl]methyl]-N-methylpentanamide
SMILESCCCCC(=O)N(C)Cc1csc(C#CCCO)c1
InChIInChI=1S/C15H21NO2S/c1-3-4-8-15(18)16(2)11-13-10-14(19-12-13)7-5-6-9-17/h10,12,17H,3-4,6,8-9,11H2,1-2H3
InChIKeyDYTUNIKDLYZHJR-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.63
Rot. Bonds6

About N-[[5-(4-hydroxybut-1-ynyl)thiophen-3-yl]methyl]-N-methylpentanamide

N-[[5-(4-hydroxybut-1-ynyl)thiophen-3-yl]methyl]-N-methylpentanamide (PubChem CID 54986526) has the molecular formula C15H21NO2S and a molecular weight of 279.41 g/mol. Its IUPAC name is N-[[5-(4-hydroxybut-1-ynyl)thiophen-3-yl]methyl]-N-methylpentanamide.

Molecular Properties

Compound NameN-[[5-(4-hydroxybut-1-ynyl)thiophen-3-yl]methyl]-N-methylpentanamide
PubChem CID54986526
Molecular FormulaC15H21NO2S
Molecular Weight279.41 g/mol
Exact Mass279.13
IUPAC NameN-[[5-(4-hydroxybut-1-ynyl)thiophen-3-yl]methyl]-N-methylpentanamide
SMILESCCCCC(=O)N(C)Cc1csc(C#CCCO)c1
InChIInChI=1S/C15H21NO2S/c1-3-4-8-15(18)16(2)11-13-10-14(19-12-13)7-5-6-9-17/h10,12,17H,3-4,6,8-9,11H2,1-2H3
InChIKeyDYTUNIKDLYZHJR-UHFFFAOYSA-N
XLogP2.63
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-(3-hydroxyprop-1-ynyl)thiophen-3-yl]methyl]-N-methylpentanamide
CID 54986619
N-[[5-(4-hydroxybut-1-ynyl)thiophen-3-yl]methyl]-N-methyl-3-methylsulfanylpropanamide
CID 54986815
1-ethyl-3-[[5-(4-hydroxybut-1-ynyl)thiophen-3-yl]methyl]-1,3-dimethylurea
CID 79162956
2-cyclopropyl-N-[[5-(4-hydroxybut-1-ynyl)thiophen-3-yl]methyl]-N-methylacetamide
CID 55032158
3-cyclobutyl-1-[[5-(4-hydroxybut-1-ynyl)thiophen-3-yl]methyl]-1-methylurea
CID 116658760
N-[[5-(4-hydroxybut-1-ynyl)thiophen-3-yl]methyl]-N,2-dimethylthiolane-2-carboxamide
CID 81453270
ethyl N-[[5-(3-aminoprop-1-ynyl)thiophen-3-yl]methyl]-N-methylcarbamate
CID 54986771
N-[(5-bromothiophen-3-yl)methyl]-N-methylnonanamide
CID 65426149
N-[[5-(3-aminoprop-1-ynyl)thiophen-3-yl]methyl]-N-methyl-2-methylsulfanylacetamide
CID 54986864
N-[(5-bromothiophen-3-yl)methyl]-N-methylbutanamide
CID 61394592
N-[[5-(3-hydroxyprop-1-ynyl)thiophen-3-yl]methyl]-2-methoxy-N-methylpropanamide
CID 113374799
N-benzyl-N-methylpentanamide
CID 4629611

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-hydroxybut-1-ynyl)thiophen-3-yl]methyl]-N-methylpentanamide?
The IUPAC name of N-[[5-(4-hydroxybut-1-ynyl)thiophen-3-yl]methyl]-N-methylpentanamide (CID 54986526) is N-[[5-(4-hydroxybut-1-ynyl)thiophen-3-yl]methyl]-N-methylpentanamide.
What is the SMILES notation for N-[[5-(4-hydroxybut-1-ynyl)thiophen-3-yl]methyl]-N-methylpentanamide?
The canonical SMILES for N-[[5-(4-hydroxybut-1-ynyl)thiophen-3-yl]methyl]-N-methylpentanamide is CCCCC(=O)N(C)Cc1csc(C#CCCO)c1.
What is the InChIKey of N-[[5-(4-hydroxybut-1-ynyl)thiophen-3-yl]methyl]-N-methylpentanamide?
The InChIKey is DYTUNIKDLYZHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2S/c1-3-4-8-15(18)16(2)11-13-10-14(19-12-13)7-5-6-9-17/h10,12,17H,3-4,6,8-9,11H2,1-2H3.
What are the key properties of N-[[5-(4-hydroxybut-1-ynyl)thiophen-3-yl]methyl]-N-methylpentanamide?
N-[[5-(4-hydroxybut-1-ynyl)thiophen-3-yl]methyl]-N-methylpentanamide has a molecular weight of 279.41 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-hydroxybut-1-ynyl)thiophen-3-yl]methyl]-N-methylpentanamide is sourced from PubChem (CID 54986526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).