4-(dimethylamino)-N-prop-2-enyl-N-propyl-3-propylsulfanylbutanamide

C15H30N2OS — CID 88944013

IUPAC4-(dimethylamino)-N-prop-2-enyl-N-propyl-3-propylsulfanylbutanamide
SMILESC=CCN(CCC)C(=O)CC(CN(C)C)SCCC
InChIInChI=1S/C15H30N2OS/c1-6-9-17(10-7-2)15(18)12-14(13-16(4)5)19-11-8-3/h6,14H,1,7-13H2,2-5H3
InChIKeyGRQCKNNSEHEKPA-UHFFFAOYSA-N
MW286.48 g/mol
LogP2.87
Rot. Bonds11

About 4-(dimethylamino)-N-prop-2-enyl-N-propyl-3-propylsulfanylbutanamide

4-(dimethylamino)-N-prop-2-enyl-N-propyl-3-propylsulfanylbutanamide (PubChem CID 88944013) has the molecular formula C15H30N2OS and a molecular weight of 286.48 g/mol. Its IUPAC name is 4-(dimethylamino)-N-prop-2-enyl-N-propyl-3-propylsulfanylbutanamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-prop-2-enyl-N-propyl-3-propylsulfanylbutanamide
PubChem CID88944013
Molecular FormulaC15H30N2OS
Molecular Weight286.48 g/mol
Exact Mass286.21
IUPAC Name4-(dimethylamino)-N-prop-2-enyl-N-propyl-3-propylsulfanylbutanamide
SMILESC=CCN(CCC)C(=O)CC(CN(C)C)SCCC
InChIInChI=1S/C15H30N2OS/c1-6-9-17(10-7-2)15(18)12-14(13-16(4)5)19-11-8-3/h6,14H,1,7-13H2,2-5H3
InChIKeyGRQCKNNSEHEKPA-UHFFFAOYSA-N
XLogP2.87
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.48
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-prop-2-enyl-N-propyl-3-propylsulfanylbutanamide?
The IUPAC name of 4-(dimethylamino)-N-prop-2-enyl-N-propyl-3-propylsulfanylbutanamide (CID 88944013) is 4-(dimethylamino)-N-prop-2-enyl-N-propyl-3-propylsulfanylbutanamide.
What is the SMILES notation for 4-(dimethylamino)-N-prop-2-enyl-N-propyl-3-propylsulfanylbutanamide?
The canonical SMILES for 4-(dimethylamino)-N-prop-2-enyl-N-propyl-3-propylsulfanylbutanamide is C=CCN(CCC)C(=O)CC(CN(C)C)SCCC.
What is the InChIKey of 4-(dimethylamino)-N-prop-2-enyl-N-propyl-3-propylsulfanylbutanamide?
The InChIKey is GRQCKNNSEHEKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2OS/c1-6-9-17(10-7-2)15(18)12-14(13-16(4)5)19-11-8-3/h6,14H,1,7-13H2,2-5H3.
What are the key properties of 4-(dimethylamino)-N-prop-2-enyl-N-propyl-3-propylsulfanylbutanamide?
4-(dimethylamino)-N-prop-2-enyl-N-propyl-3-propylsulfanylbutanamide has a molecular weight of 286.48 g/mol, XLogP of 2.87, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-prop-2-enyl-N-propyl-3-propylsulfanylbutanamide is sourced from PubChem (CID 88944013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).