N-[(2-methyloxolan-2-yl)methyl]-1-thiophen-3-ylpropan-2-amine

C13H21NOS — CID 115727592

IUPACN-[(2-methyloxolan-2-yl)methyl]-1-thiophen-3-ylpropan-2-amine
SMILESCC(Cc1ccsc1)NCC1(C)CCCO1
InChIInChI=1S/C13H21NOS/c1-11(8-12-4-7-16-9-12)14-10-13(2)5-3-6-15-13/h4,7,9,11,14H,3,5-6,8,10H2,1-2H3
InChIKeyAIHMASSPNBPIPK-UHFFFAOYSA-N
MW239.38 g/mol
LogP2.84
Rot. Bonds5

About N-[(2-methyloxolan-2-yl)methyl]-1-thiophen-3-ylpropan-2-amine

N-[(2-methyloxolan-2-yl)methyl]-1-thiophen-3-ylpropan-2-amine (PubChem CID 115727592) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is N-[(2-methyloxolan-2-yl)methyl]-1-thiophen-3-ylpropan-2-amine.

Molecular Properties

Compound NameN-[(2-methyloxolan-2-yl)methyl]-1-thiophen-3-ylpropan-2-amine
PubChem CID115727592
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC NameN-[(2-methyloxolan-2-yl)methyl]-1-thiophen-3-ylpropan-2-amine
SMILESCC(Cc1ccsc1)NCC1(C)CCCO1
InChIInChI=1S/C13H21NOS/c1-11(8-12-4-7-16-9-12)14-10-13(2)5-3-6-15-13/h4,7,9,11,14H,3,5-6,8,10H2,1-2H3
InChIKeyAIHMASSPNBPIPK-UHFFFAOYSA-N
XLogP2.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-thiophen-3-ylpropan-2-ylamino)methyl]cyclohexan-1-ol
CID 54952846
1-methyl-N-(1-thiophen-3-ylpropan-2-yl)cyclopentan-1-amine
CID 115916005
3-methyl-N-(1-thiophen-3-ylpropan-2-yl)oxolan-3-amine
CID 115922577
N-[1-(1-methylcyclopropyl)ethyl]-1-thiophen-3-ylpropan-2-amine
CID 61473217
N-(oxolan-2-ylmethyl)-1-thiophen-3-ylpropan-2-amine
CID 61474165
3-methyl-N-(1-thiophen-3-ylpropan-2-yl)but-3-en-1-amine
CID 114472154
N-(1-thiophen-3-ylpropan-2-yl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 61473059
N-(1-thiophen-3-ylpropan-2-yl)-6-oxaspiro[4.5]decan-9-amine
CID 79895083
N-(2-fluoroethyl)-1-thiophen-3-ylpropan-2-amine
CID 80694035
N-[2-(cyclopenten-1-yl)ethyl]-1-thiophen-3-ylpropan-2-amine
CID 115895883
1-(3-bromofuran-2-yl)-N-[(2-methyloxolan-2-yl)methyl]ethanamine
CID 115727604
1-[[4-(dimethylamino)oxan-4-yl]methyl]-3-[(2R)-1-thiophen-3-ylpropan-2-yl]urea
CID 95768876

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyloxolan-2-yl)methyl]-1-thiophen-3-ylpropan-2-amine?
The IUPAC name of N-[(2-methyloxolan-2-yl)methyl]-1-thiophen-3-ylpropan-2-amine (CID 115727592) is N-[(2-methyloxolan-2-yl)methyl]-1-thiophen-3-ylpropan-2-amine.
What is the SMILES notation for N-[(2-methyloxolan-2-yl)methyl]-1-thiophen-3-ylpropan-2-amine?
The canonical SMILES for N-[(2-methyloxolan-2-yl)methyl]-1-thiophen-3-ylpropan-2-amine is CC(Cc1ccsc1)NCC1(C)CCCO1.
What is the InChIKey of N-[(2-methyloxolan-2-yl)methyl]-1-thiophen-3-ylpropan-2-amine?
The InChIKey is AIHMASSPNBPIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-11(8-12-4-7-16-9-12)14-10-13(2)5-3-6-15-13/h4,7,9,11,14H,3,5-6,8,10H2,1-2H3.
What are the key properties of N-[(2-methyloxolan-2-yl)methyl]-1-thiophen-3-ylpropan-2-amine?
N-[(2-methyloxolan-2-yl)methyl]-1-thiophen-3-ylpropan-2-amine has a molecular weight of 239.38 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyloxolan-2-yl)methyl]-1-thiophen-3-ylpropan-2-amine is sourced from PubChem (CID 115727592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).