4-methyl-N-(oxan-4-ylmethyl)thiolan-3-amine

C11H21NOS — CID 130519839

IUPAC4-methyl-N-(oxan-4-ylmethyl)thiolan-3-amine
SMILESCC1CSCC1NCC1CCOCC1
InChIInChI=1S/C11H21NOS/c1-9-7-14-8-11(9)12-6-10-2-4-13-5-3-10/h9-12H,2-8H2,1H3
InChIKeyVACOUXVULGCRKX-UHFFFAOYSA-N
MW215.36 g/mol
LogP1.75
Rot. Bonds3

About 4-methyl-N-(oxan-4-ylmethyl)thiolan-3-amine

4-methyl-N-(oxan-4-ylmethyl)thiolan-3-amine (PubChem CID 130519839) has the molecular formula C11H21NOS and a molecular weight of 215.36 g/mol. Its IUPAC name is 4-methyl-N-(oxan-4-ylmethyl)thiolan-3-amine.

Molecular Properties

Compound Name4-methyl-N-(oxan-4-ylmethyl)thiolan-3-amine
PubChem CID130519839
Molecular FormulaC11H21NOS
Molecular Weight215.36 g/mol
Exact Mass215.13
IUPAC Name4-methyl-N-(oxan-4-ylmethyl)thiolan-3-amine
SMILESCC1CSCC1NCC1CCOCC1
InChIInChI=1S/C11H21NOS/c1-9-7-14-8-11(9)12-6-10-2-4-13-5-3-10/h9-12H,2-8H2,1H3
InChIKeyVACOUXVULGCRKX-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

2-methyl-N-(oxan-4-ylmethyl)cyclohexan-1-amine
CID 62384942
2,4,4-trimethyl-N-(oxan-4-ylmethyl)cyclopentan-1-amine
CID 106662513
3-[[(4-methylthiolan-3-yl)amino]methyl]cyclopentan-1-ol
CID 130519953
N-(oxan-4-ylmethyl)thiolan-3-amine
CID 63725208
N-(oxan-4-ylmethyl)cyclohexanamine
CID 61269562
N-(oxan-4-ylmethyl)cycloheptanamine
CID 61269563
4,4-dimethyl-N-(oxan-4-ylmethyl)cycloheptan-1-amine
CID 65088248
4-methyl-N-[(3-methyloxolan-3-yl)methyl]thiolan-3-amine
CID 130863677
(3S,4R)-4-(oxan-4-ylmethylamino)oxolan-3-ol
CID 126846605
N-methyl-1-(oxan-4-yl)methanamine
CID 22225668
N-[[(3S)-oxolan-3-yl]methyl]cyclopropanamine
CID 30427697
N-(oxan-4-ylmethyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 63727494

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(oxan-4-ylmethyl)thiolan-3-amine?
The IUPAC name of 4-methyl-N-(oxan-4-ylmethyl)thiolan-3-amine (CID 130519839) is 4-methyl-N-(oxan-4-ylmethyl)thiolan-3-amine.
What is the SMILES notation for 4-methyl-N-(oxan-4-ylmethyl)thiolan-3-amine?
The canonical SMILES for 4-methyl-N-(oxan-4-ylmethyl)thiolan-3-amine is CC1CSCC1NCC1CCOCC1.
What is the InChIKey of 4-methyl-N-(oxan-4-ylmethyl)thiolan-3-amine?
The InChIKey is VACOUXVULGCRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NOS/c1-9-7-14-8-11(9)12-6-10-2-4-13-5-3-10/h9-12H,2-8H2,1H3.
What are the key properties of 4-methyl-N-(oxan-4-ylmethyl)thiolan-3-amine?
4-methyl-N-(oxan-4-ylmethyl)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-(oxan-4-ylmethyl)thiolan-3-amine is sourced from PubChem (CID 130519839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).