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

C15H21Cl2NOS — CID 104755215

IUPACN-[2-(2,5-dichlorophenyl)sulfanyl-1-(oxolan-3-yl)ethyl]propan-1-amine
SMILESCCCNC(CSc1cc(Cl)ccc1Cl)C1CCOC1
InChIInChI=1S/C15H21Cl2NOS/c1-2-6-18-14(11-5-7-19-9-11)10-20-15-8-12(16)3-4-13(15)17/h3-4,8,11,14,18H,2,5-7,9-10H2,1H3
InChIKeyCSANHMPKTZJWJF-UHFFFAOYSA-N
MW334.31 g/mol
LogP4.49
Rot. Bonds7

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

N-[2-(2,5-dichlorophenyl)sulfanyl-1-(oxolan-3-yl)ethyl]propan-1-amine (PubChem CID 104755215) has the molecular formula C15H21Cl2NOS and a molecular weight of 334.31 g/mol. Its IUPAC name is N-[2-(2,5-dichlorophenyl)sulfanyl-1-(oxolan-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2,5-dichlorophenyl)sulfanyl-1-(oxolan-3-yl)ethyl]propan-1-amine
PubChem CID104755215
Molecular FormulaC15H21Cl2NOS
Molecular Weight334.31 g/mol
Exact Mass333.07
IUPAC NameN-[2-(2,5-dichlorophenyl)sulfanyl-1-(oxolan-3-yl)ethyl]propan-1-amine
SMILESCCCNC(CSc1cc(Cl)ccc1Cl)C1CCOC1
InChIInChI=1S/C15H21Cl2NOS/c1-2-6-18-14(11-5-7-19-9-11)10-20-15-8-12(16)3-4-13(15)17/h3-4,8,11,14,18H,2,5-7,9-10H2,1H3
InChIKeyCSANHMPKTZJWJF-UHFFFAOYSA-N
XLogP4.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.31
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-cyclopentyl-2-(2,5-dichlorophenyl)sulfanylethyl]propan-1-amine
CID 104755214
N-[2-(2,4-dimethylphenyl)sulfanyl-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 104755255
N-[2-[(5-chloro-2-pyridinyl)sulfanyl]-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 104755832
2-(3,4-dichlorophenyl)sulfanyl-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 104755861
1-(2,5-dichlorophenyl)sulfanyl-N-propylpropan-2-amine
CID 64621822
N-[1-(oxolan-3-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]propan-1-amine
CID 113449462
N-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 106927754
N-[1-cyclopentyl-2-(3,4-dichlorophenyl)sulfanylethyl]propan-1-amine
CID 104755864
N-[2-(1H-benzimidazol-2-ylsulfanyl)-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 104755266
N-[(4-chloro-3-fluorophenyl)-(oxan-4-yl)methyl]propan-1-amine
CID 107993179
N-[(2,5-dichlorophenyl)-(oxolan-3-yl)methyl]ethanamine
CID 61276511
N-[2-(3-chlorophenyl)-1-(oxan-3-yl)ethyl]propan-1-amine
CID 55150511

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dichlorophenyl)sulfanyl-1-(oxolan-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(2,5-dichlorophenyl)sulfanyl-1-(oxolan-3-yl)ethyl]propan-1-amine (CID 104755215) is N-[2-(2,5-dichlorophenyl)sulfanyl-1-(oxolan-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2,5-dichlorophenyl)sulfanyl-1-(oxolan-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(2,5-dichlorophenyl)sulfanyl-1-(oxolan-3-yl)ethyl]propan-1-amine is CCCNC(CSc1cc(Cl)ccc1Cl)C1CCOC1.
What is the InChIKey of N-[2-(2,5-dichlorophenyl)sulfanyl-1-(oxolan-3-yl)ethyl]propan-1-amine?
The InChIKey is CSANHMPKTZJWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2NOS/c1-2-6-18-14(11-5-7-19-9-11)10-20-15-8-12(16)3-4-13(15)17/h3-4,8,11,14,18H,2,5-7,9-10H2,1H3.
What are the key properties of N-[2-(2,5-dichlorophenyl)sulfanyl-1-(oxolan-3-yl)ethyl]propan-1-amine?
N-[2-(2,5-dichlorophenyl)sulfanyl-1-(oxolan-3-yl)ethyl]propan-1-amine has a molecular weight of 334.31 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dichlorophenyl)sulfanyl-1-(oxolan-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 104755215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).