N-[(1R)-1-(furan-2-yl)ethyl]-5-methylthiolan-3-amine

C11H17NOS — CID 81402631

IUPACN-[(1R)-1-(furan-2-yl)ethyl]-5-methylthiolan-3-amine
SMILESCC1CC(N[C@H](C)c2ccco2)CS1
InChIInChI=1S/C11H17NOS/c1-8-6-10(7-14-8)12-9(2)11-4-3-5-13-11/h3-5,8-10,12H,6-7H2,1-2H3/t8?,9-,10?/m1/s1
InChIKeyBKKRXYJHQBRXRM-HWOCKDDLSA-N
MW211.33 g/mol
LogP2.82
Rot. Bonds3

About N-[(1R)-1-(furan-2-yl)ethyl]-5-methylthiolan-3-amine

N-[(1R)-1-(furan-2-yl)ethyl]-5-methylthiolan-3-amine (PubChem CID 81402631) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is N-[(1R)-1-(furan-2-yl)ethyl]-5-methylthiolan-3-amine.

Molecular Properties

Compound NameN-[(1R)-1-(furan-2-yl)ethyl]-5-methylthiolan-3-amine
PubChem CID81402631
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC NameN-[(1R)-1-(furan-2-yl)ethyl]-5-methylthiolan-3-amine
SMILESCC1CC(N[C@H](C)c2ccco2)CS1
InChIInChI=1S/C11H17NOS/c1-8-6-10(7-14-8)12-9(2)11-4-3-5-13-11/h3-5,8-10,12H,6-7H2,1-2H3/t8?,9-,10?/m1/s1
InChIKeyBKKRXYJHQBRXRM-HWOCKDDLSA-N
XLogP2.82
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(furan-2-yl)ethyl]thiolan-3-amine
CID 43400292
N-[(1R)-1-(furan-2-yl)ethyl]oxetan-3-amine
CID 81403066
N-[(1R)-1-(2-chlorophenyl)ethyl]-5-methylthiolan-3-amine
CID 81377862
N-[(1R)-1-(furan-2-yl)ethyl]-3,3,5-trimethylcyclohexan-1-amine
CID 81403333
N-[1-(4-tert-butylphenyl)ethyl]-5-methylthiolan-3-amine
CID 79941615
N-[(1S)-1-(furan-2-yl)ethyl]-1-methylpiperidin-4-amine
CID 81403796
N-[1-(furan-2-yl)ethyl]-2,2-dimethylthietan-3-amine
CID 130617925
N-[1-(furan-2-yl)ethyl]-3-(2-methylphenyl)cyclobutan-1-amine
CID 43635534
N-[(1S)-1-(furan-2-yl)ethyl]-2-propan-2-yloxan-4-amine
CID 81402767
N-[(1S)-1-(furan-2-yl)ethyl]oxan-3-amine
CID 81402561
N-[1-(furan-2-yl)ethyl]spiro[4.5]decan-8-amine
CID 114817252
N-[1-(furan-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 43730440

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(furan-2-yl)ethyl]-5-methylthiolan-3-amine?
The IUPAC name of N-[(1R)-1-(furan-2-yl)ethyl]-5-methylthiolan-3-amine (CID 81402631) is N-[(1R)-1-(furan-2-yl)ethyl]-5-methylthiolan-3-amine.
What is the SMILES notation for N-[(1R)-1-(furan-2-yl)ethyl]-5-methylthiolan-3-amine?
The canonical SMILES for N-[(1R)-1-(furan-2-yl)ethyl]-5-methylthiolan-3-amine is CC1CC(N[C@H](C)c2ccco2)CS1.
What is the InChIKey of N-[(1R)-1-(furan-2-yl)ethyl]-5-methylthiolan-3-amine?
The InChIKey is BKKRXYJHQBRXRM-HWOCKDDLSA-N. The full InChI is InChI=1S/C11H17NOS/c1-8-6-10(7-14-8)12-9(2)11-4-3-5-13-11/h3-5,8-10,12H,6-7H2,1-2H3/t8?,9-,10?/m1/s1.
What are the key properties of N-[(1R)-1-(furan-2-yl)ethyl]-5-methylthiolan-3-amine?
N-[(1R)-1-(furan-2-yl)ethyl]-5-methylthiolan-3-amine has a molecular weight of 211.33 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(furan-2-yl)ethyl]-5-methylthiolan-3-amine is sourced from PubChem (CID 81402631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).