N-[2-cyclopentylsulfanyl-1-(oxan-3-yl)ethyl]propan-1-amine

C15H29NOS — CID 107136426

IUPACN-[2-cyclopentylsulfanyl-1-(oxan-3-yl)ethyl]propan-1-amine
SMILESCCCNC(CSC1CCCC1)C1CCCOC1
InChIInChI=1S/C15H29NOS/c1-2-9-16-15(13-6-5-10-17-11-13)12-18-14-7-3-4-8-14/h13-16H,2-12H2,1H3
InChIKeyZTJDZFUZDYYCRK-UHFFFAOYSA-N
MW271.47 g/mol
LogP3.46
Rot. Bonds7

About N-[2-cyclopentylsulfanyl-1-(oxan-3-yl)ethyl]propan-1-amine

N-[2-cyclopentylsulfanyl-1-(oxan-3-yl)ethyl]propan-1-amine (PubChem CID 107136426) has the molecular formula C15H29NOS and a molecular weight of 271.47 g/mol. Its IUPAC name is N-[2-cyclopentylsulfanyl-1-(oxan-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-cyclopentylsulfanyl-1-(oxan-3-yl)ethyl]propan-1-amine
PubChem CID107136426
Molecular FormulaC15H29NOS
Molecular Weight271.47 g/mol
Exact Mass271.20
IUPAC NameN-[2-cyclopentylsulfanyl-1-(oxan-3-yl)ethyl]propan-1-amine
SMILESCCCNC(CSC1CCCC1)C1CCCOC1
InChIInChI=1S/C15H29NOS/c1-2-9-16-15(13-6-5-10-17-11-13)12-18-14-7-3-4-8-14/h13-16H,2-12H2,1H3
InChIKeyZTJDZFUZDYYCRK-UHFFFAOYSA-N
XLogP3.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.47
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-cyclopentylsulfanyl-1-(oxan-3-yl)ethyl]hydrazine
CID 107139567
1-(oxan-3-yl)-N-propyldecan-1-amine
CID 65332318
3,4,4-trimethyl-1-(oxan-3-yl)-N-propylpentan-1-amine
CID 107139233
N-[2-[(2-methylpropan-2-yl)oxy]-1-(oxan-3-yl)ethyl]propan-1-amine
CID 107139090
2-cyclopentylsulfanyl-1-(oxan-3-yl)ethanol
CID 107136109
ethyl 3-(oxan-3-yl)-3-(propylamino)propanoate
CID 65236041
5,5,5-trifluoro-1-(oxan-3-yl)-N-propylpentan-1-amine
CID 113327066
4-methylsulfonyl-1-(oxan-3-yl)-N-propylbutan-1-amine
CID 65333768
N-ethyl-2-(3-methylcyclohexyl)sulfanyl-1-(oxolan-3-yl)ethanamine
CID 104755637
1-(oxan-3-yl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 65333769
N-[2,2-difluoro-1-(oxan-3-yl)ethyl]propan-1-amine
CID 80604878
N-[1-(oxan-3-yl)-2-(2,4,6-trimethylphenyl)ethyl]propan-1-amine
CID 65331659

Frequently Asked Questions

What is the IUPAC name of N-[2-cyclopentylsulfanyl-1-(oxan-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-cyclopentylsulfanyl-1-(oxan-3-yl)ethyl]propan-1-amine (CID 107136426) is N-[2-cyclopentylsulfanyl-1-(oxan-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-cyclopentylsulfanyl-1-(oxan-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-cyclopentylsulfanyl-1-(oxan-3-yl)ethyl]propan-1-amine is CCCNC(CSC1CCCC1)C1CCCOC1.
What is the InChIKey of N-[2-cyclopentylsulfanyl-1-(oxan-3-yl)ethyl]propan-1-amine?
The InChIKey is ZTJDZFUZDYYCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NOS/c1-2-9-16-15(13-6-5-10-17-11-13)12-18-14-7-3-4-8-14/h13-16H,2-12H2,1H3.
What are the key properties of N-[2-cyclopentylsulfanyl-1-(oxan-3-yl)ethyl]propan-1-amine?
N-[2-cyclopentylsulfanyl-1-(oxan-3-yl)ethyl]propan-1-amine has a molecular weight of 271.47 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclopentylsulfanyl-1-(oxan-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 107136426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).