4-(oxan-4-ylsulfanyl)-N-propylpentan-2-amine

C13H27NOS — CID 64704651

IUPAC4-(oxan-4-ylsulfanyl)-N-propylpentan-2-amine
SMILESCCCNC(C)CC(C)SC1CCOCC1
InChIInChI=1S/C13H27NOS/c1-4-7-14-11(2)10-12(3)16-13-5-8-15-9-6-13/h11-14H,4-10H2,1-3H3
InChIKeyLBFUQNXFWCRCTQ-UHFFFAOYSA-N
MW245.43 g/mol
LogP3.07
Rot. Bonds7

About 4-(oxan-4-ylsulfanyl)-N-propylpentan-2-amine

4-(oxan-4-ylsulfanyl)-N-propylpentan-2-amine (PubChem CID 64704651) has the molecular formula C13H27NOS and a molecular weight of 245.43 g/mol. Its IUPAC name is 4-(oxan-4-ylsulfanyl)-N-propylpentan-2-amine.

Molecular Properties

Compound Name4-(oxan-4-ylsulfanyl)-N-propylpentan-2-amine
PubChem CID64704651
Molecular FormulaC13H27NOS
Molecular Weight245.43 g/mol
Exact Mass245.18
IUPAC Name4-(oxan-4-ylsulfanyl)-N-propylpentan-2-amine
SMILESCCCNC(C)CC(C)SC1CCOCC1
InChIInChI=1S/C13H27NOS/c1-4-7-14-11(2)10-12(3)16-13-5-8-15-9-6-13/h11-14H,4-10H2,1-3H3
InChIKeyLBFUQNXFWCRCTQ-UHFFFAOYSA-N
XLogP3.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.43
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-methylcyclohexyl)sulfanyl-N-propylpentan-2-amine
CID 64704078
2-methyl-1-(oxan-4-yl)-N-propylpropan-1-amine
CID 63935267
4-cyclopropyl-N-propylpentan-2-amine
CID 64721662
4-butylsulfanyl-N-propylpentan-2-amine
CID 64703228
methyl 3-(oxan-4-ylsulfanyl)butanoate
CID 62996938
butan-2-ylsulfanylcyclopropane
CID 59881925
4-(2,6-dioxaspiro[4.5]decan-9-yl)-N-propylpentan-2-amine
CID 79923010
3-(oxan-4-ylsulfanyl)heptan-4-amine
CID 64627348
5,5,5-trifluoro-1-(oxan-4-yl)-N-propylpentan-2-amine
CID 79965180
4,6-dimethyl-N-propyloctan-2-amine
CID 64720545
1-N,1-N-diethyl-4-(oxan-4-yl)-3-N-propylbutane-1,3-diamine
CID 79092648
4-cyclohexyl-1-(oxan-4-yl)-N-propylbutan-2-amine
CID 115846851

Frequently Asked Questions

What is the IUPAC name of 4-(oxan-4-ylsulfanyl)-N-propylpentan-2-amine?
The IUPAC name of 4-(oxan-4-ylsulfanyl)-N-propylpentan-2-amine (CID 64704651) is 4-(oxan-4-ylsulfanyl)-N-propylpentan-2-amine.
What is the SMILES notation for 4-(oxan-4-ylsulfanyl)-N-propylpentan-2-amine?
The canonical SMILES for 4-(oxan-4-ylsulfanyl)-N-propylpentan-2-amine is CCCNC(C)CC(C)SC1CCOCC1.
What is the InChIKey of 4-(oxan-4-ylsulfanyl)-N-propylpentan-2-amine?
The InChIKey is LBFUQNXFWCRCTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NOS/c1-4-7-14-11(2)10-12(3)16-13-5-8-15-9-6-13/h11-14H,4-10H2,1-3H3.
What are the key properties of 4-(oxan-4-ylsulfanyl)-N-propylpentan-2-amine?
4-(oxan-4-ylsulfanyl)-N-propylpentan-2-amine has a molecular weight of 245.43 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxan-4-ylsulfanyl)-N-propylpentan-2-amine is sourced from PubChem (CID 64704651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).