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

C9H13NOS — CID 3436457

IUPACN-(oxolan-2-ylmethyl)thiophen-2-amine
SMILESc1csc(NCC2CCCO2)c1
InChIInChI=1S/C9H13NOS/c1-3-8(11-5-1)7-10-9-4-2-6-12-9/h2,4,6,8,10H,1,3,5,7H2
InChIKeyVTBGRVUSXBDQDZ-UHFFFAOYSA-N
MW183.28 g/mol
LogP2.34
Rot. Bonds3

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

N-(oxolan-2-ylmethyl)thiophen-2-amine (PubChem CID 3436457) has the molecular formula C9H13NOS and a molecular weight of 183.28 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)thiophen-2-amine.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)thiophen-2-amine
PubChem CID3436457
Molecular FormulaC9H13NOS
Molecular Weight183.28 g/mol
Exact Mass183.07
IUPAC NameN-(oxolan-2-ylmethyl)thiophen-2-amine
SMILESc1csc(NCC2CCCO2)c1
InChIInChI=1S/C9H13NOS/c1-3-8(11-5-1)7-10-9-4-2-6-12-9/h2,4,6,8,10H,1,3,5,7H2
InChIKeyVTBGRVUSXBDQDZ-UHFFFAOYSA-N
XLogP2.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(morpholin-2-ylmethyl)thiophen-2-amine
CID 115237433
(1R)-N-(oxolan-2-ylmethyl)-1-thiophen-2-ylethanamine
CID 81408382
N-(oxolan-2-ylmethyl)-1-thiophen-2-ylpropan-2-amine
CID 63291889
1-[[(2S)-oxolan-2-yl]methyl]-3-(thiophen-2-ylmethyl)thiourea
CID 970924
1-(oxolan-2-ylmethyl)-3-(thiophen-2-ylmethyl)thiourea
CID 2956318
5-(oxolan-2-ylmethylamino)thiophene-2-carbonitrile
CID 130695759
(1S)-N-(oxan-2-ylmethyl)-1-thiophen-2-ylethanamine
CID 81409334
N-(oxolan-2-ylmethyl)-2-(thiophen-2-ylmethylsulfanyl)acetamide
CID 47006892
N'-methyl-N-[[(2S)-oxolan-2-yl]methyl]thiophene-2-carboximidamide
CID 95591821
N-[[(2S)-oxolan-2-yl]methyl]-3-thiophen-2-ylpropanamide
CID 93174433
2-methyl-N-[[(2R)-oxolan-2-yl]methyl]aniline
CID 28585976
[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)azanium
CID 7129182

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)thiophen-2-amine?
The IUPAC name of N-(oxolan-2-ylmethyl)thiophen-2-amine (CID 3436457) is N-(oxolan-2-ylmethyl)thiophen-2-amine.
What is the SMILES notation for N-(oxolan-2-ylmethyl)thiophen-2-amine?
The canonical SMILES for N-(oxolan-2-ylmethyl)thiophen-2-amine is c1csc(NCC2CCCO2)c1.
What is the InChIKey of N-(oxolan-2-ylmethyl)thiophen-2-amine?
The InChIKey is VTBGRVUSXBDQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS/c1-3-8(11-5-1)7-10-9-4-2-6-12-9/h2,4,6,8,10H,1,3,5,7H2.
What are the key properties of N-(oxolan-2-ylmethyl)thiophen-2-amine?
N-(oxolan-2-ylmethyl)thiophen-2-amine has a molecular weight of 183.28 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)thiophen-2-amine is sourced from PubChem (CID 3436457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).