3-methyl-N-(1-thiophen-3-ylpropan-2-yl)oxolan-3-amine

C12H19NOS — CID 115922577

IUPAC3-methyl-N-(1-thiophen-3-ylpropan-2-yl)oxolan-3-amine
SMILESCC(Cc1ccsc1)NC1(C)CCOC1
InChIInChI=1S/C12H19NOS/c1-10(7-11-3-6-15-8-11)13-12(2)4-5-14-9-12/h3,6,8,10,13H,4-5,7,9H2,1-2H3
InChIKeyCXSIGFUFBBFPSK-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.45
Rot. Bonds4

About 3-methyl-N-(1-thiophen-3-ylpropan-2-yl)oxolan-3-amine

3-methyl-N-(1-thiophen-3-ylpropan-2-yl)oxolan-3-amine (PubChem CID 115922577) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is 3-methyl-N-(1-thiophen-3-ylpropan-2-yl)oxolan-3-amine.

Molecular Properties

Compound Name3-methyl-N-(1-thiophen-3-ylpropan-2-yl)oxolan-3-amine
PubChem CID115922577
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name3-methyl-N-(1-thiophen-3-ylpropan-2-yl)oxolan-3-amine
SMILESCC(Cc1ccsc1)NC1(C)CCOC1
InChIInChI=1S/C12H19NOS/c1-10(7-11-3-6-15-8-11)13-12(2)4-5-14-9-12/h3,6,8,10,13H,4-5,7,9H2,1-2H3
InChIKeyCXSIGFUFBBFPSK-UHFFFAOYSA-N
XLogP2.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-N-(1-thiophen-3-ylpropan-2-yl)cyclopentan-1-amine
CID 115916005
N-[1-(1-methylcyclopropyl)ethyl]-1-thiophen-3-ylpropan-2-amine
CID 61473217
N-[(2-methyloxolan-2-yl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 115727592
1-[[4-(dimethylamino)oxan-4-yl]methyl]-3-[(2R)-1-thiophen-3-ylpropan-2-yl]urea
CID 95768876
N-(1-thiophen-3-ylpropan-2-yl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 61473059
2-(1-thiophen-3-ylpropan-2-ylamino)propan-1-ol
CID 115724718
N-(1-thiophen-3-ylpropan-2-yl)-6-oxaspiro[4.5]decan-9-amine
CID 79895083
2-(1-thiophen-3-ylpropan-2-ylamino)propane-1,3-diol
CID 115724134
N-methyl-1-[3-(thiophen-3-ylmethyl)oxolan-3-yl]methanamine
CID 62719550
N-(1-thiophen-3-ylpropan-2-yl)morpholine-4-carboxamide
CID 115589977
1-[(1-thiophen-3-ylpropan-2-ylamino)methyl]cyclohexan-1-ol
CID 54952846
1-thiophen-3-yl-N-(thiophen-2-ylmethyl)propan-2-amine
CID 61222092

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(1-thiophen-3-ylpropan-2-yl)oxolan-3-amine?
The IUPAC name of 3-methyl-N-(1-thiophen-3-ylpropan-2-yl)oxolan-3-amine (CID 115922577) is 3-methyl-N-(1-thiophen-3-ylpropan-2-yl)oxolan-3-amine.
What is the SMILES notation for 3-methyl-N-(1-thiophen-3-ylpropan-2-yl)oxolan-3-amine?
The canonical SMILES for 3-methyl-N-(1-thiophen-3-ylpropan-2-yl)oxolan-3-amine is CC(Cc1ccsc1)NC1(C)CCOC1.
What is the InChIKey of 3-methyl-N-(1-thiophen-3-ylpropan-2-yl)oxolan-3-amine?
The InChIKey is CXSIGFUFBBFPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-10(7-11-3-6-15-8-11)13-12(2)4-5-14-9-12/h3,6,8,10,13H,4-5,7,9H2,1-2H3.
What are the key properties of 3-methyl-N-(1-thiophen-3-ylpropan-2-yl)oxolan-3-amine?
3-methyl-N-(1-thiophen-3-ylpropan-2-yl)oxolan-3-amine has a molecular weight of 225.36 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(1-thiophen-3-ylpropan-2-yl)oxolan-3-amine is sourced from PubChem (CID 115922577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).