4-methyl-N-[(3-methyloxolan-3-yl)methyl]thiolan-3-amine

C11H21NOS — CID 130863677

IUPAC4-methyl-N-[(3-methyloxolan-3-yl)methyl]thiolan-3-amine
SMILESCC1CSCC1NCC1(C)CCOC1
InChIInChI=1S/C11H21NOS/c1-9-5-14-6-10(9)12-7-11(2)3-4-13-8-11/h9-10,12H,3-8H2,1-2H3
InChIKeyUCDCYKXFYJWUCV-UHFFFAOYSA-N
MW215.36 g/mol
LogP1.75
Rot. Bonds3

About 4-methyl-N-[(3-methyloxolan-3-yl)methyl]thiolan-3-amine

4-methyl-N-[(3-methyloxolan-3-yl)methyl]thiolan-3-amine (PubChem CID 130863677) has the molecular formula C11H21NOS and a molecular weight of 215.36 g/mol. Its IUPAC name is 4-methyl-N-[(3-methyloxolan-3-yl)methyl]thiolan-3-amine.

Molecular Properties

Compound Name4-methyl-N-[(3-methyloxolan-3-yl)methyl]thiolan-3-amine
PubChem CID130863677
Molecular FormulaC11H21NOS
Molecular Weight215.36 g/mol
Exact Mass215.13
IUPAC Name4-methyl-N-[(3-methyloxolan-3-yl)methyl]thiolan-3-amine
SMILESCC1CSCC1NCC1(C)CCOC1
InChIInChI=1S/C11H21NOS/c1-9-5-14-6-10(9)12-7-11(2)3-4-13-8-11/h9-10,12H,3-8H2,1-2H3
InChIKeyUCDCYKXFYJWUCV-UHFFFAOYSA-N
XLogP1.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.36
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-methyloxolan-3-yl)methyl]cyclobutanamine
CID 130621360
2-methyl-N-[(3-methyloxolan-3-yl)methyl]oxolan-3-amine
CID 130626780
ethane;N-methyl-1-(3-methyloxolan-3-yl)methanamine
CID 144998741
4-methyl-N-(oxan-4-ylmethyl)thiolan-3-amine
CID 130519839
2-methyl-N-[(3-methyloxetan-3-yl)methyl]oxolan-3-amine
CID 115338684
N-[(1,4-dimethylcyclohexyl)methyl]thietan-3-amine
CID 130640078
3-[(cyclopentylamino)methyl]oxolan-3-amine
CID 64893450
3-[[(2,2-dimethylcyclopropyl)amino]methyl]oxolan-3-amine
CID 64892228
(3-methyloxolan-3-yl)methanethiol
CID 155973621
N-[(3-methoxyoxolan-3-yl)methyl]-2,4,4-trimethylcyclopentan-1-amine
CID 106662772
3-[[(2,2-dimethylcyclobutyl)amino]methyl]oxolan-3-amine
CID 130556182
2,3-dimethyl-N-[(1-methylcyclopropyl)methyl]cyclobutan-1-amine
CID 130650835

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(3-methyloxolan-3-yl)methyl]thiolan-3-amine?
The IUPAC name of 4-methyl-N-[(3-methyloxolan-3-yl)methyl]thiolan-3-amine (CID 130863677) is 4-methyl-N-[(3-methyloxolan-3-yl)methyl]thiolan-3-amine.
What is the SMILES notation for 4-methyl-N-[(3-methyloxolan-3-yl)methyl]thiolan-3-amine?
The canonical SMILES for 4-methyl-N-[(3-methyloxolan-3-yl)methyl]thiolan-3-amine is CC1CSCC1NCC1(C)CCOC1.
What is the InChIKey of 4-methyl-N-[(3-methyloxolan-3-yl)methyl]thiolan-3-amine?
The InChIKey is UCDCYKXFYJWUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NOS/c1-9-5-14-6-10(9)12-7-11(2)3-4-13-8-11/h9-10,12H,3-8H2,1-2H3.
What are the key properties of 4-methyl-N-[(3-methyloxolan-3-yl)methyl]thiolan-3-amine?
4-methyl-N-[(3-methyloxolan-3-yl)methyl]thiolan-3-amine has a molecular weight of 215.36 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(3-methyloxolan-3-yl)methyl]thiolan-3-amine is sourced from PubChem (CID 130863677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).