N-[1-[5-[2-(dimethylamino)ethylsulfanyl]-2-pyridinyl]ethyl]propan-1-amine

C14H25N3S — CID 83124242

IUPACN-[1-[5-[2-(dimethylamino)ethylsulfanyl]-2-pyridinyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(SCCN(C)C)cn1
InChIInChI=1S/C14H25N3S/c1-5-8-15-12(2)14-7-6-13(11-16-14)18-10-9-17(3)4/h6-7,11-12,15H,5,8-10H2,1-4H3
InChIKeyJBSOTMFTCAZYFY-UHFFFAOYSA-N
MW267.44 g/mol
LogP2.80
Rot. Bonds8

About N-[1-[5-[2-(dimethylamino)ethylsulfanyl]-2-pyridinyl]ethyl]propan-1-amine

N-[1-[5-[2-(dimethylamino)ethylsulfanyl]-2-pyridinyl]ethyl]propan-1-amine (PubChem CID 83124242) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is N-[1-[5-[2-(dimethylamino)ethylsulfanyl]-2-pyridinyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[5-[2-(dimethylamino)ethylsulfanyl]-2-pyridinyl]ethyl]propan-1-amine
PubChem CID83124242
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC NameN-[1-[5-[2-(dimethylamino)ethylsulfanyl]-2-pyridinyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(SCCN(C)C)cn1
InChIInChI=1S/C14H25N3S/c1-5-8-15-12(2)14-7-6-13(11-16-14)18-10-9-17(3)4/h6-7,11-12,15H,5,8-10H2,1-4H3
InChIKeyJBSOTMFTCAZYFY-UHFFFAOYSA-N
XLogP2.80
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-[5-[2-(dimethylamino)ethylsulfanyl]-2-pyridinyl]ethyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-1-[5-[2-(dimethylamino)ethylsulfanyl]-2-pyridinyl]ethanol
CID 83129720
1-[5-[2-(dimethylamino)ethylsulfanyl]-2-pyridinyl]ethanol
CID 83128205
3-[[6-[1-(propylamino)ethyl]-3-pyridinyl]sulfanyl]propane-1,2-diol
CID 83123991
N-methyl-2-[[6-[1-(propylamino)ethyl]-3-pyridinyl]sulfanyl]acetamide
CID 114231769
N,N-dimethyl-5-[[6-[1-(propylamino)ethyl]-3-pyridinyl]sulfanyl]-1,3,4-thiadiazol-2-amine
CID 83111053
N-[1-[5-(2-fluorophenyl)sulfanyl-2-pyridinyl]ethyl]propan-1-amine
CID 83123962
2-N-ethyl-1-N,1-N-dimethyl-2-N-[6-[1-(propylamino)ethyl]-3-pyridinyl]propane-1,2-diamine
CID 103189382
methyl 3-[[6-[1-(ethylamino)ethyl]-3-pyridinyl]sulfanyl]propanoate
CID 83123259
(1S)-1-(5-propylsulfanyl-2-pyridinyl)ethanol
CID 83128388
N-[1-[5-(3-methoxyphenyl)sulfanyl-2-pyridinyl]ethyl]propan-1-amine
CID 83111631
3-[methyl-[6-[1-(propylamino)ethyl]-3-pyridinyl]amino]propanenitrile
CID 83122548
1-(5-pentylsulfanyl-2-pyridinyl)ethanol
CID 107761989

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-[2-(dimethylamino)ethylsulfanyl]-2-pyridinyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[5-[2-(dimethylamino)ethylsulfanyl]-2-pyridinyl]ethyl]propan-1-amine (CID 83124242) is N-[1-[5-[2-(dimethylamino)ethylsulfanyl]-2-pyridinyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[5-[2-(dimethylamino)ethylsulfanyl]-2-pyridinyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[5-[2-(dimethylamino)ethylsulfanyl]-2-pyridinyl]ethyl]propan-1-amine is CCCNC(C)c1ccc(SCCN(C)C)cn1.
What is the InChIKey of N-[1-[5-[2-(dimethylamino)ethylsulfanyl]-2-pyridinyl]ethyl]propan-1-amine?
The InChIKey is JBSOTMFTCAZYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-5-8-15-12(2)14-7-6-13(11-16-14)18-10-9-17(3)4/h6-7,11-12,15H,5,8-10H2,1-4H3.
What are the key properties of N-[1-[5-[2-(dimethylamino)ethylsulfanyl]-2-pyridinyl]ethyl]propan-1-amine?
N-[1-[5-[2-(dimethylamino)ethylsulfanyl]-2-pyridinyl]ethyl]propan-1-amine has a molecular weight of 267.44 g/mol, XLogP of 2.80, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-[2-(dimethylamino)ethylsulfanyl]-2-pyridinyl]ethyl]propan-1-amine is sourced from PubChem (CID 83124242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).