N-methyl-N-[2-[3-[2-(propylamino)prop-2-enylsulfanyl]prop-1-en-2-ylamino]ethyl]acetamide

C14H27N3OS — CID 139516831

IUPACN-methyl-N-[2-[3-[2-(propylamino)prop-2-enylsulfanyl]prop-1-en-2-ylamino]ethyl]acetamide
SMILESC=C(CSCC(=C)NCCN(C)C(C)=O)NCCC
InChIInChI=1S/C14H27N3OS/c1-6-7-15-12(2)10-19-11-13(3)16-8-9-17(5)14(4)18/h15-16H,2-3,6-11H2,1,4-5H3
InChIKeyVJKBZYHGFMEXBN-UHFFFAOYSA-N
MW285.46 g/mol
LogP1.81
Rot. Bonds11

About N-methyl-N-[2-[3-[2-(propylamino)prop-2-enylsulfanyl]prop-1-en-2-ylamino]ethyl]acetamide

N-methyl-N-[2-[3-[2-(propylamino)prop-2-enylsulfanyl]prop-1-en-2-ylamino]ethyl]acetamide (PubChem CID 139516831) has the molecular formula C14H27N3OS and a molecular weight of 285.46 g/mol. Its IUPAC name is N-methyl-N-[2-[3-[2-(propylamino)prop-2-enylsulfanyl]prop-1-en-2-ylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[2-[3-[2-(propylamino)prop-2-enylsulfanyl]prop-1-en-2-ylamino]ethyl]acetamide
PubChem CID139516831
Molecular FormulaC14H27N3OS
Molecular Weight285.46 g/mol
Exact Mass285.19
IUPAC NameN-methyl-N-[2-[3-[2-(propylamino)prop-2-enylsulfanyl]prop-1-en-2-ylamino]ethyl]acetamide
SMILESC=C(CSCC(=C)NCCN(C)C(C)=O)NCCC
InChIInChI=1S/C14H27N3OS/c1-6-7-15-12(2)10-19-11-13(3)16-8-9-17(5)14(4)18/h15-16H,2-3,6-11H2,1,4-5H3
InChIKeyVJKBZYHGFMEXBN-UHFFFAOYSA-N
XLogP1.81
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.46
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[3-[2-(propylamino)prop-2-enylsulfanyl]prop-1-en-2-ylamino]ethyl]acetamide?
The IUPAC name of N-methyl-N-[2-[3-[2-(propylamino)prop-2-enylsulfanyl]prop-1-en-2-ylamino]ethyl]acetamide (CID 139516831) is N-methyl-N-[2-[3-[2-(propylamino)prop-2-enylsulfanyl]prop-1-en-2-ylamino]ethyl]acetamide.
What is the SMILES notation for N-methyl-N-[2-[3-[2-(propylamino)prop-2-enylsulfanyl]prop-1-en-2-ylamino]ethyl]acetamide?
The canonical SMILES for N-methyl-N-[2-[3-[2-(propylamino)prop-2-enylsulfanyl]prop-1-en-2-ylamino]ethyl]acetamide is C=C(CSCC(=C)NCCN(C)C(C)=O)NCCC.
What is the InChIKey of N-methyl-N-[2-[3-[2-(propylamino)prop-2-enylsulfanyl]prop-1-en-2-ylamino]ethyl]acetamide?
The InChIKey is VJKBZYHGFMEXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3OS/c1-6-7-15-12(2)10-19-11-13(3)16-8-9-17(5)14(4)18/h15-16H,2-3,6-11H2,1,4-5H3.
What are the key properties of N-methyl-N-[2-[3-[2-(propylamino)prop-2-enylsulfanyl]prop-1-en-2-ylamino]ethyl]acetamide?
N-methyl-N-[2-[3-[2-(propylamino)prop-2-enylsulfanyl]prop-1-en-2-ylamino]ethyl]acetamide has a molecular weight of 285.46 g/mol, XLogP of 1.81, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[3-[2-(propylamino)prop-2-enylsulfanyl]prop-1-en-2-ylamino]ethyl]acetamide is sourced from PubChem (CID 139516831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).