N-[(1S)-1-(furan-2-yl)ethyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine

C14H21NO2S — CID 81400625

IUPACN-[(1S)-1-(furan-2-yl)ethyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
SMILESC[C@H](NC1CCOC2(CCSC2)C1)c1ccco1
InChIInChI=1S/C14H21NO2S/c1-11(13-3-2-6-16-13)15-12-4-7-17-14(9-12)5-8-18-10-14/h2-3,6,11-12,15H,4-5,7-10H2,1H3/t11-,12?,14?/m0/s1
InChIKeyAOMXZYUIRYMQPQ-DCBWTQNWSA-N
MW267.39 g/mol
LogP2.98
Rot. Bonds3

About N-[(1S)-1-(furan-2-yl)ethyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine

N-[(1S)-1-(furan-2-yl)ethyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine (PubChem CID 81400625) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is N-[(1S)-1-(furan-2-yl)ethyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine.

Molecular Properties

Compound NameN-[(1S)-1-(furan-2-yl)ethyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
PubChem CID81400625
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC NameN-[(1S)-1-(furan-2-yl)ethyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
SMILESC[C@H](NC1CCOC2(CCSC2)C1)c1ccco1
InChIInChI=1S/C14H21NO2S/c1-11(13-3-2-6-16-13)15-12-4-7-17-14(9-12)5-8-18-10-14/h2-3,6,11-12,15H,4-5,7-10H2,1H3/t11-,12?,14?/m0/s1
InChIKeyAOMXZYUIRYMQPQ-DCBWTQNWSA-N
XLogP2.98
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(furan-2-yl)ethyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79895765
N-[1-(furan-2-yl)ethyl]-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 79894827
N-[(1S)-1-(furan-2-yl)ethyl]-5-oxaspiro[3.5]nonan-8-amine
CID 81399877
N-[1-(furan-2-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine
CID 79894899
N-[1-(3-fluorophenyl)ethyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79895880
N-[(1R)-1-(2-fluorophenyl)ethyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 81379881
N-(1-pyridin-2-ylethyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79895334
N-[(1R)-1-(furan-2-yl)ethyl]-2,2-dimethyloxan-4-amine
CID 81403572
N-(4-phenylbutan-2-yl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79899295
N-but-3-yn-2-yl-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 114416794
N-[(1R)-1-cyclohexylethyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 81385058
(5R,9S)-N-[(1S)-1-thieno[3,2-b]pyridin-6-ylethyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 99108503

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(furan-2-yl)ethyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine?
The IUPAC name of N-[(1S)-1-(furan-2-yl)ethyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine (CID 81400625) is N-[(1S)-1-(furan-2-yl)ethyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine.
What is the SMILES notation for N-[(1S)-1-(furan-2-yl)ethyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine?
The canonical SMILES for N-[(1S)-1-(furan-2-yl)ethyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine is C[C@H](NC1CCOC2(CCSC2)C1)c1ccco1.
What is the InChIKey of N-[(1S)-1-(furan-2-yl)ethyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine?
The InChIKey is AOMXZYUIRYMQPQ-DCBWTQNWSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-11(13-3-2-6-16-13)15-12-4-7-17-14(9-12)5-8-18-10-14/h2-3,6,11-12,15H,4-5,7-10H2,1H3/t11-,12?,14?/m0/s1.
What are the key properties of N-[(1S)-1-(furan-2-yl)ethyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine?
N-[(1S)-1-(furan-2-yl)ethyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine has a molecular weight of 267.39 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(furan-2-yl)ethyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine is sourced from PubChem (CID 81400625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).