(2S,3R)-2-methyl-N-(2-thiophen-2-ylethyl)oxolan-3-amine

C11H17NOS — CID 97358153

IUPAC(2S,3R)-2-methyl-N-(2-thiophen-2-ylethyl)oxolan-3-amine
SMILESC[C@@H]1OCC[C@H]1NCCc1cccs1
InChIInChI=1S/C11H17NOS/c1-9-11(5-7-13-9)12-6-4-10-3-2-8-14-10/h2-3,8-9,11-12H,4-7H2,1H3/t9-,11+/m0/s1
InChIKeyFSINNFYZCYQODN-GXSJLCMTSA-N
MW211.33 g/mol
LogP2.06
Rot. Bonds4

About (2S,3R)-2-methyl-N-(2-thiophen-2-ylethyl)oxolan-3-amine

(2S,3R)-2-methyl-N-(2-thiophen-2-ylethyl)oxolan-3-amine (PubChem CID 97358153) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is (2S,3R)-2-methyl-N-(2-thiophen-2-ylethyl)oxolan-3-amine.

Molecular Properties

Compound Name(2S,3R)-2-methyl-N-(2-thiophen-2-ylethyl)oxolan-3-amine
PubChem CID97358153
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name(2S,3R)-2-methyl-N-(2-thiophen-2-ylethyl)oxolan-3-amine
SMILESC[C@@H]1OCC[C@H]1NCCc1cccs1
InChIInChI=1S/C11H17NOS/c1-9-11(5-7-13-9)12-6-4-10-3-2-8-14-10/h2-3,8-9,11-12H,4-7H2,1H3/t9-,11+/m0/s1
InChIKeyFSINNFYZCYQODN-GXSJLCMTSA-N
XLogP2.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(2-methyl-3-thiophen-2-ylpropyl)oxolan-3-amine
CID 115751420
2-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)oxolan-3-amine
CID 115338696
N-[2-(4-fluorophenyl)ethyl]-2-methyloxolan-3-amine
CID 115335502
2-methyl-N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]oxolan-3-amine
CID 115895026
1-[(2-methyloxolan-3-yl)amino]-2-thiophen-2-ylpropan-2-ol
CID 115751394
1-(2-methyloxolan-3-yl)-3-thiophen-2-ylpropan-1-amine
CID 115861130
2-(2-thiophen-2-ylethylamino)cyclopentane-1-carbonitrile
CID 62742394
4-chloro-N-(2-thiophen-2-ylethyl)cyclohexan-1-amine
CID 65023554
2-methyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]oxolan-3-amine
CID 82726555
2-methyl-3-(thiophen-2-ylmethylsulfanyl)oxolane
CID 127000169
1,5-dimethyl-N-(2-thiophen-2-ylethyl)pyrrolidin-3-amine
CID 81300569
N-propyl-2-(2-thiophen-2-ylethyl)cyclohexan-1-amine
CID 55237095

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-methyl-N-(2-thiophen-2-ylethyl)oxolan-3-amine?
The IUPAC name of (2S,3R)-2-methyl-N-(2-thiophen-2-ylethyl)oxolan-3-amine (CID 97358153) is (2S,3R)-2-methyl-N-(2-thiophen-2-ylethyl)oxolan-3-amine.
What is the SMILES notation for (2S,3R)-2-methyl-N-(2-thiophen-2-ylethyl)oxolan-3-amine?
The canonical SMILES for (2S,3R)-2-methyl-N-(2-thiophen-2-ylethyl)oxolan-3-amine is C[C@@H]1OCC[C@H]1NCCc1cccs1.
What is the InChIKey of (2S,3R)-2-methyl-N-(2-thiophen-2-ylethyl)oxolan-3-amine?
The InChIKey is FSINNFYZCYQODN-GXSJLCMTSA-N. The full InChI is InChI=1S/C11H17NOS/c1-9-11(5-7-13-9)12-6-4-10-3-2-8-14-10/h2-3,8-9,11-12H,4-7H2,1H3/t9-,11+/m0/s1.
What are the key properties of (2S,3R)-2-methyl-N-(2-thiophen-2-ylethyl)oxolan-3-amine?
(2S,3R)-2-methyl-N-(2-thiophen-2-ylethyl)oxolan-3-amine has a molecular weight of 211.33 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-methyl-N-(2-thiophen-2-ylethyl)oxolan-3-amine is sourced from PubChem (CID 97358153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).