N-(2-methoxypropyl)-5-methylthiolan-3-amine

C9H19NOS — CID 102696500

IUPACN-(2-methoxypropyl)-5-methylthiolan-3-amine
SMILESCOC(C)CNC1CSC(C)C1
InChIInChI=1S/C9H19NOS/c1-7(11-3)5-10-9-4-8(2)12-6-9/h7-10H,4-6H2,1-3H3
InChIKeyVEXXMEYUGPRHQT-UHFFFAOYSA-N
MW189.32 g/mol
LogP1.50
Rot. Bonds4

About N-(2-methoxypropyl)-5-methylthiolan-3-amine

N-(2-methoxypropyl)-5-methylthiolan-3-amine (PubChem CID 102696500) has the molecular formula C9H19NOS and a molecular weight of 189.32 g/mol. Its IUPAC name is N-(2-methoxypropyl)-5-methylthiolan-3-amine.

Molecular Properties

Compound NameN-(2-methoxypropyl)-5-methylthiolan-3-amine
PubChem CID102696500
Molecular FormulaC9H19NOS
Molecular Weight189.32 g/mol
Exact Mass189.12
IUPAC NameN-(2-methoxypropyl)-5-methylthiolan-3-amine
SMILESCOC(C)CNC1CSC(C)C1
InChIInChI=1S/C9H19NOS/c1-7(11-3)5-10-9-4-8(2)12-6-9/h7-10H,4-6H2,1-3H3
InChIKeyVEXXMEYUGPRHQT-UHFFFAOYSA-N
XLogP1.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.32
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-Methoxy-1-methylethyl)tetrahydro-3-thienylamine
CID 2849473
N-(2-methoxyethyl)thian-3-amine
CID 62873232
5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiolan-3-amine
CID 79950438
2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiolan-3-amine
CID 102671456
N-[2-(2,2-difluoroethoxy)ethyl]-2-methylthiolan-3-amine
CID 103083068
N-[2-(2,2-difluoroethoxy)ethyl]-5-methylthiolan-3-amine
CID 105905425
1-Fluoro-3-[(5-methylthiolan-3-yl)amino]propan-2-ol
CID 165590934
1-Fluoro-3-[(2-methylthiolan-3-yl)amino]propan-2-ol
CID 165748338
[(3-Thienyl)methyl](2-methoxyethyl)amine
CID 64166447
2,2-Dimethyl-5-ethylthiomethyl oxazolidine
CID 22160872
(2S)-2-[ethoxy(ethylsulfanyl)methyl]pyrrolidine
CID 53736408
2-[Ethoxy(ethylsulfanyl)methyl]pyrrolidine
CID 53736409

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxypropyl)-5-methylthiolan-3-amine?
The IUPAC name of N-(2-methoxypropyl)-5-methylthiolan-3-amine (CID 102696500) is N-(2-methoxypropyl)-5-methylthiolan-3-amine.
What is the SMILES notation for N-(2-methoxypropyl)-5-methylthiolan-3-amine?
The canonical SMILES for N-(2-methoxypropyl)-5-methylthiolan-3-amine is COC(C)CNC1CSC(C)C1.
What is the InChIKey of N-(2-methoxypropyl)-5-methylthiolan-3-amine?
The InChIKey is VEXXMEYUGPRHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NOS/c1-7(11-3)5-10-9-4-8(2)12-6-9/h7-10H,4-6H2,1-3H3.
What are the key properties of N-(2-methoxypropyl)-5-methylthiolan-3-amine?
N-(2-methoxypropyl)-5-methylthiolan-3-amine has a molecular weight of 189.32 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxypropyl)-5-methylthiolan-3-amine is sourced from PubChem (CID 102696500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).