1-ethylsulfanyl-4-(oxolan-2-yl)-N-propylbutan-2-amine

C13H27NOS — CID 65164220

IUPAC1-ethylsulfanyl-4-(oxolan-2-yl)-N-propylbutan-2-amine
SMILESCCCNC(CCC1CCCO1)CSCC
InChIInChI=1S/C13H27NOS/c1-3-9-14-12(11-16-4-2)7-8-13-6-5-10-15-13/h12-14H,3-11H2,1-2H3
InChIKeyAHHYFCQQQNAROS-UHFFFAOYSA-N
MW245.43 g/mol
LogP3.07
Rot. Bonds9

About 1-ethylsulfanyl-4-(oxolan-2-yl)-N-propylbutan-2-amine

1-ethylsulfanyl-4-(oxolan-2-yl)-N-propylbutan-2-amine (PubChem CID 65164220) has the molecular formula C13H27NOS and a molecular weight of 245.43 g/mol. Its IUPAC name is 1-ethylsulfanyl-4-(oxolan-2-yl)-N-propylbutan-2-amine.

Molecular Properties

Compound Name1-ethylsulfanyl-4-(oxolan-2-yl)-N-propylbutan-2-amine
PubChem CID65164220
Molecular FormulaC13H27NOS
Molecular Weight245.43 g/mol
Exact Mass245.18
IUPAC Name1-ethylsulfanyl-4-(oxolan-2-yl)-N-propylbutan-2-amine
SMILESCCCNC(CCC1CCCO1)CSCC
InChIInChI=1S/C13H27NOS/c1-3-9-14-12(11-16-4-2)7-8-13-6-5-10-15-13/h12-14H,3-11H2,1-2H3
InChIKeyAHHYFCQQQNAROS-UHFFFAOYSA-N
XLogP3.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
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

1-methylsulfanyl-4-(oxolan-2-yl)-N-propylbutan-2-amine
CID 65164508
1-ethylsulfanyl-N-methyl-4-(oxolan-2-yl)butan-2-amine
CID 65164170
1-(oxolan-2-yl)-N-propyloctan-3-amine
CID 115837005
1-(oxan-2-yl)-N-propylhex-5-en-3-amine
CID 115815083
1-methoxy-5-(oxolan-2-yl)-N-propylpentan-3-amine
CID 65164444
N-ethyl-1-methylsulfanyl-4-(oxolan-2-yl)butan-2-amine
CID 65164506
N-ethyl-1-(2-methylpropylsulfanyl)-4-(oxolan-2-yl)butan-2-amine
CID 65164626
[1-ethylsulfanyl-5-(oxolan-2-yl)pentan-2-yl]hydrazine
CID 105225409
4-(oxolan-2-yl)-N-propyl-1-(thian-4-yl)butan-2-amine
CID 105156823
1-(2-bromophenyl)sulfanyl-4-(oxolan-2-yl)-N-propylbutan-2-amine
CID 66144092
6-methoxy-6-methyl-1-(oxan-2-yl)-N-propylheptan-3-amine
CID 103032094
6-methylsulfonyl-1-(oxan-2-yl)-N-propylhexan-3-amine
CID 115820960

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfanyl-4-(oxolan-2-yl)-N-propylbutan-2-amine?
The IUPAC name of 1-ethylsulfanyl-4-(oxolan-2-yl)-N-propylbutan-2-amine (CID 65164220) is 1-ethylsulfanyl-4-(oxolan-2-yl)-N-propylbutan-2-amine.
What is the SMILES notation for 1-ethylsulfanyl-4-(oxolan-2-yl)-N-propylbutan-2-amine?
The canonical SMILES for 1-ethylsulfanyl-4-(oxolan-2-yl)-N-propylbutan-2-amine is CCCNC(CCC1CCCO1)CSCC.
What is the InChIKey of 1-ethylsulfanyl-4-(oxolan-2-yl)-N-propylbutan-2-amine?
The InChIKey is AHHYFCQQQNAROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NOS/c1-3-9-14-12(11-16-4-2)7-8-13-6-5-10-15-13/h12-14H,3-11H2,1-2H3.
What are the key properties of 1-ethylsulfanyl-4-(oxolan-2-yl)-N-propylbutan-2-amine?
1-ethylsulfanyl-4-(oxolan-2-yl)-N-propylbutan-2-amine has a molecular weight of 245.43 g/mol, XLogP of 3.07, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfanyl-4-(oxolan-2-yl)-N-propylbutan-2-amine is sourced from PubChem (CID 65164220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).