N-methyl-2-[[6-[1-(propylamino)ethyl]-3-pyridinyl]sulfanyl]acetamide

C13H21N3OS — CID 114231769

IUPACN-methyl-2-[[6-[1-(propylamino)ethyl]-3-pyridinyl]sulfanyl]acetamide
SMILESCCCNC(C)c1ccc(SCC(=O)NC)cn1
InChIInChI=1S/C13H21N3OS/c1-4-7-15-10(2)12-6-5-11(8-16-12)18-9-13(17)14-3/h5-6,8,10,15H,4,7,9H2,1-3H3,(H,14,17)
InChIKeySYUJVPLPWYQPJJ-UHFFFAOYSA-N
MW267.40 g/mol
LogP1.98
Rot. Bonds7

About N-methyl-2-[[6-[1-(propylamino)ethyl]-3-pyridinyl]sulfanyl]acetamide

N-methyl-2-[[6-[1-(propylamino)ethyl]-3-pyridinyl]sulfanyl]acetamide (PubChem CID 114231769) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is N-methyl-2-[[6-[1-(propylamino)ethyl]-3-pyridinyl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[[6-[1-(propylamino)ethyl]-3-pyridinyl]sulfanyl]acetamide
PubChem CID114231769
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC NameN-methyl-2-[[6-[1-(propylamino)ethyl]-3-pyridinyl]sulfanyl]acetamide
SMILESCCCNC(C)c1ccc(SCC(=O)NC)cn1
InChIInChI=1S/C13H21N3OS/c1-4-7-15-10(2)12-6-5-11(8-16-12)18-9-13(17)14-3/h5-6,8,10,15H,4,7,9H2,1-3H3,(H,14,17)
InChIKeySYUJVPLPWYQPJJ-UHFFFAOYSA-N
XLogP1.98
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[6-[1-(propylamino)ethyl]-3-pyridinyl]sulfanyl]acetamide?
The IUPAC name of N-methyl-2-[[6-[1-(propylamino)ethyl]-3-pyridinyl]sulfanyl]acetamide (CID 114231769) is N-methyl-2-[[6-[1-(propylamino)ethyl]-3-pyridinyl]sulfanyl]acetamide.
What is the SMILES notation for N-methyl-2-[[6-[1-(propylamino)ethyl]-3-pyridinyl]sulfanyl]acetamide?
The canonical SMILES for N-methyl-2-[[6-[1-(propylamino)ethyl]-3-pyridinyl]sulfanyl]acetamide is CCCNC(C)c1ccc(SCC(=O)NC)cn1.
What is the InChIKey of N-methyl-2-[[6-[1-(propylamino)ethyl]-3-pyridinyl]sulfanyl]acetamide?
The InChIKey is SYUJVPLPWYQPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-4-7-15-10(2)12-6-5-11(8-16-12)18-9-13(17)14-3/h5-6,8,10,15H,4,7,9H2,1-3H3,(H,14,17).
What are the key properties of N-methyl-2-[[6-[1-(propylamino)ethyl]-3-pyridinyl]sulfanyl]acetamide?
N-methyl-2-[[6-[1-(propylamino)ethyl]-3-pyridinyl]sulfanyl]acetamide has a molecular weight of 267.40 g/mol, XLogP of 1.98, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[6-[1-(propylamino)ethyl]-3-pyridinyl]sulfanyl]acetamide is sourced from PubChem (CID 114231769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).