N-methyl-N-prop-2-enyl-3-(3-sulfanylpropylsulfanyl)propanamide

C10H19NOS2 — CID 118943987

IUPACN-methyl-N-prop-2-enyl-3-(3-sulfanylpropylsulfanyl)propanamide
SMILESC=CCN(C)C(=O)CCSCCCS
InChIInChI=1S/C10H19NOS2/c1-3-6-11(2)10(12)5-9-14-8-4-7-13/h3,13H,1,4-9H2,2H3
InChIKeyOEOSUPSWCFENEP-UHFFFAOYSA-N
MW233.40 g/mol
LogP2.07
Rot. Bonds8

About N-methyl-N-prop-2-enyl-3-(3-sulfanylpropylsulfanyl)propanamide

N-methyl-N-prop-2-enyl-3-(3-sulfanylpropylsulfanyl)propanamide (PubChem CID 118943987) has the molecular formula C10H19NOS2 and a molecular weight of 233.40 g/mol. Its IUPAC name is N-methyl-N-prop-2-enyl-3-(3-sulfanylpropylsulfanyl)propanamide.

Molecular Properties

Compound NameN-methyl-N-prop-2-enyl-3-(3-sulfanylpropylsulfanyl)propanamide
PubChem CID118943987
Molecular FormulaC10H19NOS2
Molecular Weight233.40 g/mol
Exact Mass233.09
IUPAC NameN-methyl-N-prop-2-enyl-3-(3-sulfanylpropylsulfanyl)propanamide
SMILESC=CCN(C)C(=O)CCSCCCS
InChIInChI=1S/C10H19NOS2/c1-3-6-11(2)10(12)5-9-14-8-4-7-13/h3,13H,1,4-9H2,2H3
InChIKeyOEOSUPSWCFENEP-UHFFFAOYSA-N
XLogP2.07
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(3-aminopropylsulfanyl)propylsulfanyl]-N-methyl-N-[3-(3-sulfanylpropylsulfanyl)propyl]propanamide
CID 148563347
N,N'-dimethyl-N,N'-bis(prop-2-enyl)oxamide
CID 71483404
N-methyl-N-propyl-3-propylsulfanylpropanamide
CID 88902574
2-[methyl(prop-2-enyl)amino]-2-oxoacetic acid
CID 71699730
N-prop-2-enyl-3-sulfanylpropanehydrazide
CID 88672663
methyl N-methyl-N-prop-2-enylcarbamate
CID 116657055
1-ethyl-1,3-dimethyl-3-prop-2-enylurea
CID 116657053
3-[3-[bis(2-methylpropyl)amino]-3-oxopropyl]sulfanyl-N,N-bis(2-methylpropyl)propanamide;N,N-di(butan-2-yl)-3-[3-[di(butan-2-yl)amino]-3-oxopropyl]sulfanylpropanamide;N,N,N',N'-tetra(butan-2-yl)decanediamide;N,N,N',N'-tetraethyldecanediamide;N,N,N',N'-tetrakis(2-methylpropyl)decanediamide;N,N,N',N'-tetrakis(prop-2-enyl)decanediamide
CID 158196466
N-methyl-2-piperidin-4-ylsulfanyl-N-prop-2-enylacetamide
CID 114627920
butane-2,3-dione;N,N-dimethylprop-2-en-1-amine;hydrochloride
CID 174374169
2-fluoro-N-methyl-N-prop-2-enylprop-2-enamide
CID 139381351
3-[2-[2-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethylsulfanyl]propane-1-thiol
CID 139816250

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-prop-2-enyl-3-(3-sulfanylpropylsulfanyl)propanamide?
The IUPAC name of N-methyl-N-prop-2-enyl-3-(3-sulfanylpropylsulfanyl)propanamide (CID 118943987) is N-methyl-N-prop-2-enyl-3-(3-sulfanylpropylsulfanyl)propanamide.
What is the SMILES notation for N-methyl-N-prop-2-enyl-3-(3-sulfanylpropylsulfanyl)propanamide?
The canonical SMILES for N-methyl-N-prop-2-enyl-3-(3-sulfanylpropylsulfanyl)propanamide is C=CCN(C)C(=O)CCSCCCS.
What is the InChIKey of N-methyl-N-prop-2-enyl-3-(3-sulfanylpropylsulfanyl)propanamide?
The InChIKey is OEOSUPSWCFENEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NOS2/c1-3-6-11(2)10(12)5-9-14-8-4-7-13/h3,13H,1,4-9H2,2H3.
What are the key properties of N-methyl-N-prop-2-enyl-3-(3-sulfanylpropylsulfanyl)propanamide?
N-methyl-N-prop-2-enyl-3-(3-sulfanylpropylsulfanyl)propanamide has a molecular weight of 233.40 g/mol, XLogP of 2.07, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-prop-2-enyl-3-(3-sulfanylpropylsulfanyl)propanamide is sourced from PubChem (CID 118943987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).