N-methyl-N-(3-sulfanylbutyl)prop-2-enamide

C8H15NOS — CID 141133278

IUPACN-methyl-N-(3-sulfanylbutyl)prop-2-enamide
SMILESC=CC(=O)N(C)CCC(C)S
InChIInChI=1S/C8H15NOS/c1-4-8(10)9(3)6-5-7(2)11/h4,7,11H,1,5-6H2,2-3H3
InChIKeyKJIRICFPJNYSJH-UHFFFAOYSA-N
MW173.28 g/mol
LogP1.34
Rot. Bonds4

About N-methyl-N-(3-sulfanylbutyl)prop-2-enamide

N-methyl-N-(3-sulfanylbutyl)prop-2-enamide (PubChem CID 141133278) has the molecular formula C8H15NOS and a molecular weight of 173.28 g/mol. Its IUPAC name is N-methyl-N-(3-sulfanylbutyl)prop-2-enamide.

Molecular Properties

Compound NameN-methyl-N-(3-sulfanylbutyl)prop-2-enamide
PubChem CID141133278
Molecular FormulaC8H15NOS
Molecular Weight173.28 g/mol
Exact Mass173.09
IUPAC NameN-methyl-N-(3-sulfanylbutyl)prop-2-enamide
SMILESC=CC(=O)N(C)CCC(C)S
InChIInChI=1S/C8H15NOS/c1-4-8(10)9(3)6-5-7(2)11/h4,7,11H,1,5-6H2,2-3H3
InChIKeyKJIRICFPJNYSJH-UHFFFAOYSA-N
XLogP1.34
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.28
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-[3-[methyl(prop-2-enoyl)amino]propyl]prop-2-enamide
CID 59017028
N-methyl-N-[3-[methyl(prop-2-enoyl)amino]pentyl]prop-2-enamide
CID 158816365
N-methyl-N-(sulfanylmethyl)prop-2-enamide
CID 170148935
1-[methyl(prop-2-enoyl)amino]hexan-3-ylphosphonic acid
CID 90826851
N-(2-aminopropyl)-N-methylprop-2-enamide
CID 130563514
3-[methyl(prop-2-enoyl)amino]propyl 2-methylpropanoate
CID 134486156
azane;1-[methyl(prop-2-enoyl)amino]propane-2-sulfonic acid
CID 87438515
N,2-dimethyl-N-[2-[methyl(prop-2-enoyl)amino]ethyl]prop-2-enamide
CID 23525820
N-[3-(dimethylamino)propyl]-N-methylprop-2-enamide;hydrazine
CID 162091587
4-[methyl(prop-2-enoyl)amino]butanoic acid
CID 43151837
CID 58422062
CID 58422062
N-[3-hydroxy-3-(5-methylthiophen-2-yl)propyl]-N-methylprop-2-enamide
CID 146095099

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-sulfanylbutyl)prop-2-enamide?
The IUPAC name of N-methyl-N-(3-sulfanylbutyl)prop-2-enamide (CID 141133278) is N-methyl-N-(3-sulfanylbutyl)prop-2-enamide.
What is the SMILES notation for N-methyl-N-(3-sulfanylbutyl)prop-2-enamide?
The canonical SMILES for N-methyl-N-(3-sulfanylbutyl)prop-2-enamide is C=CC(=O)N(C)CCC(C)S.
What is the InChIKey of N-methyl-N-(3-sulfanylbutyl)prop-2-enamide?
The InChIKey is KJIRICFPJNYSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NOS/c1-4-8(10)9(3)6-5-7(2)11/h4,7,11H,1,5-6H2,2-3H3.
What are the key properties of N-methyl-N-(3-sulfanylbutyl)prop-2-enamide?
N-methyl-N-(3-sulfanylbutyl)prop-2-enamide has a molecular weight of 173.28 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-sulfanylbutyl)prop-2-enamide is sourced from PubChem (CID 141133278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).