N-[2-(3-methylthiophen-2-yl)ethyl]oxan-3-amine

C12H19NOS — CID 115898793

IUPACN-[2-(3-methylthiophen-2-yl)ethyl]oxan-3-amine
SMILESCc1ccsc1CCNC1CCCOC1
InChIInChI=1S/C12H19NOS/c1-10-5-8-15-12(10)4-6-13-11-3-2-7-14-9-11/h5,8,11,13H,2-4,6-7,9H2,1H3
InChIKeyNEBYCYUFBJPAAR-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.37
Rot. Bonds4

About N-[2-(3-methylthiophen-2-yl)ethyl]oxan-3-amine

N-[2-(3-methylthiophen-2-yl)ethyl]oxan-3-amine (PubChem CID 115898793) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is N-[2-(3-methylthiophen-2-yl)ethyl]oxan-3-amine.

Molecular Properties

Compound NameN-[2-(3-methylthiophen-2-yl)ethyl]oxan-3-amine
PubChem CID115898793
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC NameN-[2-(3-methylthiophen-2-yl)ethyl]oxan-3-amine
SMILESCc1ccsc1CCNC1CCCOC1
InChIInChI=1S/C12H19NOS/c1-10-5-8-15-12(10)4-6-13-11-3-2-7-14-9-11/h5,8,11,13H,2-4,6-7,9H2,1H3
InChIKeyNEBYCYUFBJPAAR-UHFFFAOYSA-N
XLogP2.37
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 ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-methylthiophen-2-yl)ethyl]oxan-4-amine
CID 115897898
4-N-[2-(3-methylthiophen-2-yl)ethyl]cyclohexane-1,4-diamine
CID 115149897
N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]oxan-3-amine
CID 115718385
N-(2-pyridin-4-ylethyl)oxan-3-amine
CID 63363456
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]oxolan-3-amine
CID 63335162
N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]oxan-3-amine
CID 115896016
N-[(2,4,5-trimethylphenyl)methyl]oxan-3-amine
CID 55189666
N-[(5-methylfuran-2-yl)methyl]oxan-3-amine
CID 63360041
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]oxan-3-amine
CID 65447112
N-[(3-methylthiophen-2-yl)methyl]cyclopent-3-en-1-amine
CID 115696483
N-methyl-N'-(oxan-3-yl)methanediamine
CID 139447312
N-(oxan-3-yl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106065252

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylthiophen-2-yl)ethyl]oxan-3-amine?
The IUPAC name of N-[2-(3-methylthiophen-2-yl)ethyl]oxan-3-amine (CID 115898793) is N-[2-(3-methylthiophen-2-yl)ethyl]oxan-3-amine.
What is the SMILES notation for N-[2-(3-methylthiophen-2-yl)ethyl]oxan-3-amine?
The canonical SMILES for N-[2-(3-methylthiophen-2-yl)ethyl]oxan-3-amine is Cc1ccsc1CCNC1CCCOC1.
What is the InChIKey of N-[2-(3-methylthiophen-2-yl)ethyl]oxan-3-amine?
The InChIKey is NEBYCYUFBJPAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-10-5-8-15-12(10)4-6-13-11-3-2-7-14-9-11/h5,8,11,13H,2-4,6-7,9H2,1H3.
What are the key properties of N-[2-(3-methylthiophen-2-yl)ethyl]oxan-3-amine?
N-[2-(3-methylthiophen-2-yl)ethyl]oxan-3-amine has a molecular weight of 225.36 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylthiophen-2-yl)ethyl]oxan-3-amine is sourced from PubChem (CID 115898793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).