N-[4-(furan-2-yl)butan-2-yl]thiolan-3-amine

C12H19NOS — CID 43182391

IUPACN-[4-(furan-2-yl)butan-2-yl]thiolan-3-amine
SMILESCC(CCc1ccco1)NC1CCSC1
InChIInChI=1S/C12H19NOS/c1-10(13-11-6-8-15-9-11)4-5-12-3-2-7-14-12/h2-3,7,10-11,13H,4-6,8-9H2,1H3
InChIKeyOQBAMQLSCWXTII-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.70
Rot. Bonds5

About N-[4-(furan-2-yl)butan-2-yl]thiolan-3-amine

N-[4-(furan-2-yl)butan-2-yl]thiolan-3-amine (PubChem CID 43182391) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is N-[4-(furan-2-yl)butan-2-yl]thiolan-3-amine.

Molecular Properties

Compound NameN-[4-(furan-2-yl)butan-2-yl]thiolan-3-amine
PubChem CID43182391
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC NameN-[4-(furan-2-yl)butan-2-yl]thiolan-3-amine
SMILESCC(CCc1ccco1)NC1CCSC1
InChIInChI=1S/C12H19NOS/c1-10(13-11-6-8-15-9-11)4-5-12-3-2-7-14-12/h2-3,7,10-11,13H,4-6,8-9H2,1H3
InChIKeyOQBAMQLSCWXTII-UHFFFAOYSA-N
XLogP2.70
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-yl)butan-2-yl]thiolan-3-amine?
The IUPAC name of N-[4-(furan-2-yl)butan-2-yl]thiolan-3-amine (CID 43182391) is N-[4-(furan-2-yl)butan-2-yl]thiolan-3-amine.
What is the SMILES notation for N-[4-(furan-2-yl)butan-2-yl]thiolan-3-amine?
The canonical SMILES for N-[4-(furan-2-yl)butan-2-yl]thiolan-3-amine is CC(CCc1ccco1)NC1CCSC1.
What is the InChIKey of N-[4-(furan-2-yl)butan-2-yl]thiolan-3-amine?
The InChIKey is OQBAMQLSCWXTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-10(13-11-6-8-15-9-11)4-5-12-3-2-7-14-12/h2-3,7,10-11,13H,4-6,8-9H2,1H3.
What are the key properties of N-[4-(furan-2-yl)butan-2-yl]thiolan-3-amine?
N-[4-(furan-2-yl)butan-2-yl]thiolan-3-amine has a molecular weight of 225.36 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-yl)butan-2-yl]thiolan-3-amine is sourced from PubChem (CID 43182391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).