N-(oxolan-2-ylmethyl)-1-thiophen-2-ylpropan-2-amine

C12H19NOS — CID 63291889

IUPACN-(oxolan-2-ylmethyl)-1-thiophen-2-ylpropan-2-amine
SMILESCC(Cc1cccs1)NCC1CCCO1
InChIInChI=1S/C12H19NOS/c1-10(8-12-5-3-7-15-12)13-9-11-4-2-6-14-11/h3,5,7,10-11,13H,2,4,6,8-9H2,1H3
InChIKeyJGRCFGROSXKKSC-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.45
Rot. Bonds5

About N-(oxolan-2-ylmethyl)-1-thiophen-2-ylpropan-2-amine

N-(oxolan-2-ylmethyl)-1-thiophen-2-ylpropan-2-amine (PubChem CID 63291889) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-1-thiophen-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-1-thiophen-2-ylpropan-2-amine
PubChem CID63291889
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC NameN-(oxolan-2-ylmethyl)-1-thiophen-2-ylpropan-2-amine
SMILESCC(Cc1cccs1)NCC1CCCO1
InChIInChI=1S/C12H19NOS/c1-10(8-12-5-3-7-15-12)13-9-11-4-2-6-14-11/h3,5,7,10-11,13H,2,4,6,8-9H2,1H3
InChIKeyJGRCFGROSXKKSC-UHFFFAOYSA-N
XLogP2.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

(1R)-N-(oxolan-2-ylmethyl)-1-thiophen-2-ylethanamine
CID 81408382
(1S)-N-(oxan-2-ylmethyl)-1-thiophen-2-ylethanamine
CID 81409334
N-(oxolan-2-ylmethyl)-1-thiophen-3-ylpropan-2-amine
CID 61474165
1-(3-chlorophenyl)-N-(oxolan-2-ylmethyl)propan-2-amine
CID 82834455
N-(oxolan-2-ylmethyl)thiophen-2-amine
CID 3436457
N-(1-thiophen-2-ylpropan-2-yl)cyclopropanamine
CID 82262604
(1S)-N-[2-(oxolan-2-yl)ethyl]-1-thiophen-2-ylethanamine
CID 81409134
2-N-[[(2S)-oxolan-2-yl]methyl]-1-N-propan-2-ylpropane-1,2-diamine
CID 104856010
1-(oxolan-2-ylmethyl)-3-(thiophen-2-ylmethyl)thiourea
CID 2956318
1-[[(2S)-oxolan-2-yl]methyl]-3-(thiophen-2-ylmethyl)thiourea
CID 970924
2-(oxolan-2-ylmethylsulfonyl)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 106513593
N-propan-2-yl-1-thiophen-2-ylpropan-2-amine
CID 15162973

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-1-thiophen-2-ylpropan-2-amine?
The IUPAC name of N-(oxolan-2-ylmethyl)-1-thiophen-2-ylpropan-2-amine (CID 63291889) is N-(oxolan-2-ylmethyl)-1-thiophen-2-ylpropan-2-amine.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-1-thiophen-2-ylpropan-2-amine?
The canonical SMILES for N-(oxolan-2-ylmethyl)-1-thiophen-2-ylpropan-2-amine is CC(Cc1cccs1)NCC1CCCO1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-1-thiophen-2-ylpropan-2-amine?
The InChIKey is JGRCFGROSXKKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-10(8-12-5-3-7-15-12)13-9-11-4-2-6-14-11/h3,5,7,10-11,13H,2,4,6,8-9H2,1H3.
What are the key properties of N-(oxolan-2-ylmethyl)-1-thiophen-2-ylpropan-2-amine?
N-(oxolan-2-ylmethyl)-1-thiophen-2-ylpropan-2-amine has a molecular weight of 225.36 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-1-thiophen-2-ylpropan-2-amine is sourced from PubChem (CID 63291889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).