N-(4-methoxybutan-2-yl)-5-methylthiolan-3-amine

C10H21NOS — CID 79950809

IUPACN-(4-methoxybutan-2-yl)-5-methylthiolan-3-amine
SMILESCOCCC(C)NC1CSC(C)C1
InChIInChI=1S/C10H21NOS/c1-8(4-5-12-3)11-10-6-9(2)13-7-10/h8-11H,4-7H2,1-3H3
InChIKeyDJSRLZRWWKUULL-UHFFFAOYSA-N
MW203.35 g/mol
LogP1.89
Rot. Bonds5

About N-(4-methoxybutan-2-yl)-5-methylthiolan-3-amine

N-(4-methoxybutan-2-yl)-5-methylthiolan-3-amine (PubChem CID 79950809) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is N-(4-methoxybutan-2-yl)-5-methylthiolan-3-amine.

Molecular Properties

Compound NameN-(4-methoxybutan-2-yl)-5-methylthiolan-3-amine
PubChem CID79950809
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC NameN-(4-methoxybutan-2-yl)-5-methylthiolan-3-amine
SMILESCOCCC(C)NC1CSC(C)C1
InChIInChI=1S/C10H21NOS/c1-8(4-5-12-3)11-10-6-9(2)13-7-10/h8-11H,4-7H2,1-3H3
InChIKeyDJSRLZRWWKUULL-UHFFFAOYSA-N
XLogP1.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxybutan-2-yl)-5-methylthiolan-3-amine?
The IUPAC name of N-(4-methoxybutan-2-yl)-5-methylthiolan-3-amine (CID 79950809) is N-(4-methoxybutan-2-yl)-5-methylthiolan-3-amine.
What is the SMILES notation for N-(4-methoxybutan-2-yl)-5-methylthiolan-3-amine?
The canonical SMILES for N-(4-methoxybutan-2-yl)-5-methylthiolan-3-amine is COCCC(C)NC1CSC(C)C1.
What is the InChIKey of N-(4-methoxybutan-2-yl)-5-methylthiolan-3-amine?
The InChIKey is DJSRLZRWWKUULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-8(4-5-12-3)11-10-6-9(2)13-7-10/h8-11H,4-7H2,1-3H3.
What are the key properties of N-(4-methoxybutan-2-yl)-5-methylthiolan-3-amine?
N-(4-methoxybutan-2-yl)-5-methylthiolan-3-amine has a molecular weight of 203.35 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxybutan-2-yl)-5-methylthiolan-3-amine is sourced from PubChem (CID 79950809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).