N-[2-[(5-chloro-2-pyridinyl)sulfanyl]-1-(oxolan-3-yl)ethyl]propan-1-amine

C14H21ClN2OS — CID 104755832

IUPACN-[2-[(5-chloro-2-pyridinyl)sulfanyl]-1-(oxolan-3-yl)ethyl]propan-1-amine
SMILESCCCNC(CSc1ccc(Cl)cn1)C1CCOC1
InChIInChI=1S/C14H21ClN2OS/c1-2-6-16-13(11-5-7-18-9-11)10-19-14-4-3-12(15)8-17-14/h3-4,8,11,13,16H,2,5-7,9-10H2,1H3
InChIKeyOYMIAWFVCWUXGJ-UHFFFAOYSA-N
MW300.85 g/mol
LogP3.23
Rot. Bonds7

About N-[2-[(5-chloro-2-pyridinyl)sulfanyl]-1-(oxolan-3-yl)ethyl]propan-1-amine

N-[2-[(5-chloro-2-pyridinyl)sulfanyl]-1-(oxolan-3-yl)ethyl]propan-1-amine (PubChem CID 104755832) has the molecular formula C14H21ClN2OS and a molecular weight of 300.85 g/mol. Its IUPAC name is N-[2-[(5-chloro-2-pyridinyl)sulfanyl]-1-(oxolan-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-[(5-chloro-2-pyridinyl)sulfanyl]-1-(oxolan-3-yl)ethyl]propan-1-amine
PubChem CID104755832
Molecular FormulaC14H21ClN2OS
Molecular Weight300.85 g/mol
Exact Mass300.11
IUPAC NameN-[2-[(5-chloro-2-pyridinyl)sulfanyl]-1-(oxolan-3-yl)ethyl]propan-1-amine
SMILESCCCNC(CSc1ccc(Cl)cn1)C1CCOC1
InChIInChI=1S/C14H21ClN2OS/c1-2-6-16-13(11-5-7-18-9-11)10-19-14-4-3-12(15)8-17-14/h3-4,8,11,13,16H,2,5-7,9-10H2,1H3
InChIKeyOYMIAWFVCWUXGJ-UHFFFAOYSA-N
XLogP3.23
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.85
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(5-chloro-2-pyridinyl)sulfanyl]-1-cyclohexylethyl]propan-1-amine
CID 104755834
N-[2-(2,5-dichlorophenyl)sulfanyl-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 104755215
N-[1-(oxolan-3-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]propan-1-amine
CID 113449462
N-[2-(2,4-dimethylphenyl)sulfanyl-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 104755255
N-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 106927754
N-[2-(1H-benzimidazol-2-ylsulfanyl)-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 104755266
2-(3,4-dichlorophenyl)sulfanyl-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 104755861
N-[2-(2-ethoxyphenoxy)-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 104748410
N-[1-(oxolan-3-yl)-2-(2-propylimidazol-1-yl)ethyl]propan-1-amine
CID 104747739
N-[2-(4-ethylphenyl)-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 65330199
N-ethyl-1-(oxolan-3-yl)-2-phenylsulfanylethanamine
CID 65143618
N-[2-(4-chlorophenyl)-1-(oxan-4-yl)ethyl]propan-1-amine
CID 62906214

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-chloro-2-pyridinyl)sulfanyl]-1-(oxolan-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-[(5-chloro-2-pyridinyl)sulfanyl]-1-(oxolan-3-yl)ethyl]propan-1-amine (CID 104755832) is N-[2-[(5-chloro-2-pyridinyl)sulfanyl]-1-(oxolan-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-[(5-chloro-2-pyridinyl)sulfanyl]-1-(oxolan-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-[(5-chloro-2-pyridinyl)sulfanyl]-1-(oxolan-3-yl)ethyl]propan-1-amine is CCCNC(CSc1ccc(Cl)cn1)C1CCOC1.
What is the InChIKey of N-[2-[(5-chloro-2-pyridinyl)sulfanyl]-1-(oxolan-3-yl)ethyl]propan-1-amine?
The InChIKey is OYMIAWFVCWUXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2OS/c1-2-6-16-13(11-5-7-18-9-11)10-19-14-4-3-12(15)8-17-14/h3-4,8,11,13,16H,2,5-7,9-10H2,1H3.
What are the key properties of N-[2-[(5-chloro-2-pyridinyl)sulfanyl]-1-(oxolan-3-yl)ethyl]propan-1-amine?
N-[2-[(5-chloro-2-pyridinyl)sulfanyl]-1-(oxolan-3-yl)ethyl]propan-1-amine has a molecular weight of 300.85 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-chloro-2-pyridinyl)sulfanyl]-1-(oxolan-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 104755832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).