N-[(4-methylphenyl)sulfanylmethyl]-N-pent-1-en-2-ylformamide

C14H19NOS — CID 143677138

IUPACN-[(4-methylphenyl)sulfanylmethyl]-N-pent-1-en-2-ylformamide
SMILESC=C(CCC)N(C=O)CSc1ccc(C)cc1
InChIInChI=1S/C14H19NOS/c1-4-5-13(3)15(10-16)11-17-14-8-6-12(2)7-9-14/h6-10H,3-5,11H2,1-2H3
InChIKeyWGYNCAIGBAYJFG-UHFFFAOYSA-N
MW249.38 g/mol
LogP3.82
Rot. Bonds7

About N-[(4-methylphenyl)sulfanylmethyl]-N-pent-1-en-2-ylformamide

N-[(4-methylphenyl)sulfanylmethyl]-N-pent-1-en-2-ylformamide (PubChem CID 143677138) has the molecular formula C14H19NOS and a molecular weight of 249.38 g/mol. Its IUPAC name is N-[(4-methylphenyl)sulfanylmethyl]-N-pent-1-en-2-ylformamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)sulfanylmethyl]-N-pent-1-en-2-ylformamide
PubChem CID143677138
Molecular FormulaC14H19NOS
Molecular Weight249.38 g/mol
Exact Mass249.12
IUPAC NameN-[(4-methylphenyl)sulfanylmethyl]-N-pent-1-en-2-ylformamide
SMILESC=C(CCC)N(C=O)CSc1ccc(C)cc1
InChIInChI=1S/C14H19NOS/c1-4-5-13(3)15(10-16)11-17-14-8-6-12(2)7-9-14/h6-10H,3-5,11H2,1-2H3
InChIKeyWGYNCAIGBAYJFG-UHFFFAOYSA-N
XLogP3.82
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

S-(4-methylphenyl) 2-methylidenepentanethioate
CID 101096443
2-(4-methylphenyl)sulfanylprop-2-enal
CID 15627206
N-[2-(methylamino)ethyl]-N-pent-1-en-2-ylformamide
CID 134406609
3-(4-methylphenyl)sulfanylprop-1-en-2-amine
CID 143815010
ethane;1-ethylsulfanyl-4-methylbenzene
CID 142940651
1-(4-methylphenyl)sulfanyloctan-2-one
CID 66065161
3-methoxy-3-methyl-2-methylidene-4-(4-methylphenyl)sulfanylbutanal
CID 14224838
N-(4-methylphenyl)sulfanyl-N-propylpropan-1-amine
CID 143873658
1-butylsulfanyl-4-methylbenzene;ethane
CID 145281456
N-(2-aminoethyl)-N-(4-methylphenyl)formamide
CID 82503582
N-[2-[[2-(4-methylphenyl)sulfanylacetyl]amino]phenyl]butanamide
CID 974708
butyl 3-(4-methylphenyl)sulfanylpropanoate
CID 10824720

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)sulfanylmethyl]-N-pent-1-en-2-ylformamide?
The IUPAC name of N-[(4-methylphenyl)sulfanylmethyl]-N-pent-1-en-2-ylformamide (CID 143677138) is N-[(4-methylphenyl)sulfanylmethyl]-N-pent-1-en-2-ylformamide.
What is the SMILES notation for N-[(4-methylphenyl)sulfanylmethyl]-N-pent-1-en-2-ylformamide?
The canonical SMILES for N-[(4-methylphenyl)sulfanylmethyl]-N-pent-1-en-2-ylformamide is C=C(CCC)N(C=O)CSc1ccc(C)cc1.
What is the InChIKey of N-[(4-methylphenyl)sulfanylmethyl]-N-pent-1-en-2-ylformamide?
The InChIKey is WGYNCAIGBAYJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NOS/c1-4-5-13(3)15(10-16)11-17-14-8-6-12(2)7-9-14/h6-10H,3-5,11H2,1-2H3.
What are the key properties of N-[(4-methylphenyl)sulfanylmethyl]-N-pent-1-en-2-ylformamide?
N-[(4-methylphenyl)sulfanylmethyl]-N-pent-1-en-2-ylformamide has a molecular weight of 249.38 g/mol, XLogP of 3.82, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)sulfanylmethyl]-N-pent-1-en-2-ylformamide is sourced from PubChem (CID 143677138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).