3-methoxy-N-(thiolan-3-ylmethyl)butan-2-amine

C10H21NOS — CID 107295324

IUPAC3-methoxy-N-(thiolan-3-ylmethyl)butan-2-amine
SMILESCOC(C)C(C)NCC1CCSC1
InChIInChI=1S/C10H21NOS/c1-8(9(2)12-3)11-6-10-4-5-13-7-10/h8-11H,4-7H2,1-3H3
InChIKeyNVLANKSPVXFNPV-UHFFFAOYSA-N
MW203.35 g/mol
LogP1.75
Rot. Bonds5

About 3-methoxy-N-(thiolan-3-ylmethyl)butan-2-amine

3-methoxy-N-(thiolan-3-ylmethyl)butan-2-amine (PubChem CID 107295324) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is 3-methoxy-N-(thiolan-3-ylmethyl)butan-2-amine.

Molecular Properties

Compound Name3-methoxy-N-(thiolan-3-ylmethyl)butan-2-amine
PubChem CID107295324
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC Name3-methoxy-N-(thiolan-3-ylmethyl)butan-2-amine
SMILESCOC(C)C(C)NCC1CCSC1
InChIInChI=1S/C10H21NOS/c1-8(9(2)12-3)11-6-10-4-5-13-7-10/h8-11H,4-7H2,1-3H3
InChIKeyNVLANKSPVXFNPV-UHFFFAOYSA-N
XLogP1.75
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 ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-2-methoxy-N-(thiolan-3-ylmethyl)ethanamine
CID 107166673
ethyl 2-(thiolan-3-ylmethylamino)propanoate
CID 107131969
(1S)-1-cyclopentyl-N-(thiolan-3-ylmethyl)ethanamine
CID 107132288
(2S)-1-methylsulfanyl-N-[[(3S)-thiolan-3-yl]methyl]propan-2-amine
CID 124674576
1-cyclohexyl-N-(thiolan-3-ylmethyl)ethanamine
CID 107132041
4-methyl-N-(thiolan-3-ylmethyl)hexan-2-amine
CID 107132179
(1R)-1-(4-fluorophenyl)-N-(thiolan-3-ylmethyl)ethanamine
CID 107132261
methyl 2-methyl-3-(thiolan-3-ylmethylamino)propanoate
CID 107295831
1-(6-methoxynaphthalen-2-yl)-N-(thiolan-3-ylmethyl)ethanamine
CID 107166080
3-methyl-N-(thiolan-3-ylmethyl)butan-1-amine
CID 107131174
N-methyl-1-(thiolan-3-yl)methanamine;molecular hydrogen
CID 145167793
2-(thiolan-3-ylmethylamino)butanoic acid
CID 107295403

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(thiolan-3-ylmethyl)butan-2-amine?
The IUPAC name of 3-methoxy-N-(thiolan-3-ylmethyl)butan-2-amine (CID 107295324) is 3-methoxy-N-(thiolan-3-ylmethyl)butan-2-amine.
What is the SMILES notation for 3-methoxy-N-(thiolan-3-ylmethyl)butan-2-amine?
The canonical SMILES for 3-methoxy-N-(thiolan-3-ylmethyl)butan-2-amine is COC(C)C(C)NCC1CCSC1.
What is the InChIKey of 3-methoxy-N-(thiolan-3-ylmethyl)butan-2-amine?
The InChIKey is NVLANKSPVXFNPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-8(9(2)12-3)11-6-10-4-5-13-7-10/h8-11H,4-7H2,1-3H3.
What are the key properties of 3-methoxy-N-(thiolan-3-ylmethyl)butan-2-amine?
3-methoxy-N-(thiolan-3-ylmethyl)butan-2-amine has a molecular weight of 203.35 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(thiolan-3-ylmethyl)butan-2-amine is sourced from PubChem (CID 107295324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).