N-ethyl-1-methylsulfanyl-3-(oxolan-2-yl)propan-2-amine

C10H21NOS — CID 62691550

IUPACN-ethyl-1-methylsulfanyl-3-(oxolan-2-yl)propan-2-amine
SMILESCCNC(CSC)CC1CCCO1
InChIInChI=1S/C10H21NOS/c1-3-11-9(8-13-2)7-10-5-4-6-12-10/h9-11H,3-8H2,1-2H3
InChIKeyBABOUYDBCIKLCJ-UHFFFAOYSA-N
MW203.35 g/mol
LogP1.90
Rot. Bonds6

About N-ethyl-1-methylsulfanyl-3-(oxolan-2-yl)propan-2-amine

N-ethyl-1-methylsulfanyl-3-(oxolan-2-yl)propan-2-amine (PubChem CID 62691550) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is N-ethyl-1-methylsulfanyl-3-(oxolan-2-yl)propan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-methylsulfanyl-3-(oxolan-2-yl)propan-2-amine
PubChem CID62691550
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC NameN-ethyl-1-methylsulfanyl-3-(oxolan-2-yl)propan-2-amine
SMILESCCNC(CSC)CC1CCCO1
InChIInChI=1S/C10H21NOS/c1-3-11-9(8-13-2)7-10-5-4-6-12-10/h9-11H,3-8H2,1-2H3
InChIKeyBABOUYDBCIKLCJ-UHFFFAOYSA-N
XLogP1.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-methylsulfanyl-3-(oxolan-2-yl)propan-2-amine?
The IUPAC name of N-ethyl-1-methylsulfanyl-3-(oxolan-2-yl)propan-2-amine (CID 62691550) is N-ethyl-1-methylsulfanyl-3-(oxolan-2-yl)propan-2-amine.
What is the SMILES notation for N-ethyl-1-methylsulfanyl-3-(oxolan-2-yl)propan-2-amine?
The canonical SMILES for N-ethyl-1-methylsulfanyl-3-(oxolan-2-yl)propan-2-amine is CCNC(CSC)CC1CCCO1.
What is the InChIKey of N-ethyl-1-methylsulfanyl-3-(oxolan-2-yl)propan-2-amine?
The InChIKey is BABOUYDBCIKLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-3-11-9(8-13-2)7-10-5-4-6-12-10/h9-11H,3-8H2,1-2H3.
What are the key properties of N-ethyl-1-methylsulfanyl-3-(oxolan-2-yl)propan-2-amine?
N-ethyl-1-methylsulfanyl-3-(oxolan-2-yl)propan-2-amine has a molecular weight of 203.35 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-methylsulfanyl-3-(oxolan-2-yl)propan-2-amine is sourced from PubChem (CID 62691550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).