3-[2-amino-1-(furan-2-yl)ethyl]sulfanyl-2-methylpropan-1-ol

C10H17NO2S — CID 66105967

IUPAC3-[2-amino-1-(furan-2-yl)ethyl]sulfanyl-2-methylpropan-1-ol
SMILESCC(CO)CSC(CN)c1ccco1
InChIInChI=1S/C10H17NO2S/c1-8(6-12)7-14-10(5-11)9-3-2-4-13-9/h2-4,8,10,12H,5-7,11H2,1H3
InChIKeyDDVXNXZQZYLMTP-UHFFFAOYSA-N
MW215.32 g/mol
LogP1.64
Rot. Bonds6

About 3-[2-amino-1-(furan-2-yl)ethyl]sulfanyl-2-methylpropan-1-ol

3-[2-amino-1-(furan-2-yl)ethyl]sulfanyl-2-methylpropan-1-ol (PubChem CID 66105967) has the molecular formula C10H17NO2S and a molecular weight of 215.32 g/mol. Its IUPAC name is 3-[2-amino-1-(furan-2-yl)ethyl]sulfanyl-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-[2-amino-1-(furan-2-yl)ethyl]sulfanyl-2-methylpropan-1-ol
PubChem CID66105967
Molecular FormulaC10H17NO2S
Molecular Weight215.32 g/mol
Exact Mass215.10
IUPAC Name3-[2-amino-1-(furan-2-yl)ethyl]sulfanyl-2-methylpropan-1-ol
SMILESCC(CO)CSC(CN)c1ccco1
InChIInChI=1S/C10H17NO2S/c1-8(6-12)7-14-10(5-11)9-3-2-4-13-9/h2-4,8,10,12H,5-7,11H2,1H3
InChIKeyDDVXNXZQZYLMTP-UHFFFAOYSA-N
XLogP1.64
TPSA59.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 107748598
2-amino-2-(furan-2-yl)ethanol
CID 54048773
(1R,2R)-1-(furan-2-yl)-2-methylpropane-1,3-diol
CID 11957999
2-(2-methylbutylsulfanyl)-2-(5-methylfuran-2-yl)ethanamine
CID 107748920
2-(furan-2-yl)-2-(4-methylpyrimidin-2-yl)sulfanylethanamine
CID 62269086
(2R)-2-(2-bromophenyl)sulfanyl-2-(furan-2-yl)ethanol
CID 125483370
3-[1-amino-1-(4-methylphenyl)propan-2-yl]sulfanyl-2-methylpropan-1-ol
CID 66102571
3-[2-amino-1-(furan-2-yl)ethyl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one
CID 62898087
3-amino-N-[(1S)-1-(furan-2-yl)ethyl]-2-methylpropanamide
CID 81400789
2-[1-(furan-2-yl)ethylsulfanyl]acetic acid
CID 14625064
(1S,3R)-3-amino-1-(furan-2-yl)butan-1-ol
CID 95975773
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CID 95975775

Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-1-(furan-2-yl)ethyl]sulfanyl-2-methylpropan-1-ol?
The IUPAC name of 3-[2-amino-1-(furan-2-yl)ethyl]sulfanyl-2-methylpropan-1-ol (CID 66105967) is 3-[2-amino-1-(furan-2-yl)ethyl]sulfanyl-2-methylpropan-1-ol.
What is the SMILES notation for 3-[2-amino-1-(furan-2-yl)ethyl]sulfanyl-2-methylpropan-1-ol?
The canonical SMILES for 3-[2-amino-1-(furan-2-yl)ethyl]sulfanyl-2-methylpropan-1-ol is CC(CO)CSC(CN)c1ccco1.
What is the InChIKey of 3-[2-amino-1-(furan-2-yl)ethyl]sulfanyl-2-methylpropan-1-ol?
The InChIKey is DDVXNXZQZYLMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2S/c1-8(6-12)7-14-10(5-11)9-3-2-4-13-9/h2-4,8,10,12H,5-7,11H2,1H3.
What are the key properties of 3-[2-amino-1-(furan-2-yl)ethyl]sulfanyl-2-methylpropan-1-ol?
3-[2-amino-1-(furan-2-yl)ethyl]sulfanyl-2-methylpropan-1-ol has a molecular weight of 215.32 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-amino-1-(furan-2-yl)ethyl]sulfanyl-2-methylpropan-1-ol is sourced from PubChem (CID 66105967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).