N-[1-(furan-2-yl)ethyl]thiolan-3-amine

C10H15NOS — CID 43400292

IUPACN-[1-(furan-2-yl)ethyl]thiolan-3-amine
SMILESCC(NC1CCSC1)c1ccco1
InChIInChI=1S/C10H15NOS/c1-8(10-3-2-5-12-10)11-9-4-6-13-7-9/h2-3,5,8-9,11H,4,6-7H2,1H3
InChIKeyTVYPUGCZGZRDKQ-UHFFFAOYSA-N
MW197.30 g/mol
LogP2.44
Rot. Bonds3

About N-[1-(furan-2-yl)ethyl]thiolan-3-amine

N-[1-(furan-2-yl)ethyl]thiolan-3-amine (PubChem CID 43400292) has the molecular formula C10H15NOS and a molecular weight of 197.30 g/mol. Its IUPAC name is N-[1-(furan-2-yl)ethyl]thiolan-3-amine.

Molecular Properties

Compound NameN-[1-(furan-2-yl)ethyl]thiolan-3-amine
PubChem CID43400292
Molecular FormulaC10H15NOS
Molecular Weight197.30 g/mol
Exact Mass197.09
IUPAC NameN-[1-(furan-2-yl)ethyl]thiolan-3-amine
SMILESCC(NC1CCSC1)c1ccco1
InChIInChI=1S/C10H15NOS/c1-8(10-3-2-5-12-10)11-9-4-6-13-7-9/h2-3,5,8-9,11H,4,6-7H2,1H3
InChIKeyTVYPUGCZGZRDKQ-UHFFFAOYSA-N
XLogP2.44
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(furan-2-yl)ethyl]oxetan-3-amine
CID 81403066
N-[(1R)-1-(furan-2-yl)ethyl]-5-methylthiolan-3-amine
CID 81402631
N-[(1S)-1-(furan-2-yl)ethyl]-1-methylpiperidin-4-amine
CID 81403796
N-[1-(furan-2-yl)ethyl]-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 79894827
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
N-[(1S)-1-(furan-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 81402923
N-[1-(furan-2-yl)ethyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79895765
N-[(1S)-1-(furan-2-yl)ethyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 81400625
N-[1-(furan-2-yl)ethyl]-2,2-dimethylthietan-3-amine
CID 130617925
N-[(1R)-1-(furan-2-yl)ethyl]-4-propylcyclohexan-1-amine
CID 81403874

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)ethyl]thiolan-3-amine?
The IUPAC name of N-[1-(furan-2-yl)ethyl]thiolan-3-amine (CID 43400292) is N-[1-(furan-2-yl)ethyl]thiolan-3-amine.
What is the SMILES notation for N-[1-(furan-2-yl)ethyl]thiolan-3-amine?
The canonical SMILES for N-[1-(furan-2-yl)ethyl]thiolan-3-amine is CC(NC1CCSC1)c1ccco1.
What is the InChIKey of N-[1-(furan-2-yl)ethyl]thiolan-3-amine?
The InChIKey is TVYPUGCZGZRDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS/c1-8(10-3-2-5-12-10)11-9-4-6-13-7-9/h2-3,5,8-9,11H,4,6-7H2,1H3.
What are the key properties of N-[1-(furan-2-yl)ethyl]thiolan-3-amine?
N-[1-(furan-2-yl)ethyl]thiolan-3-amine has a molecular weight of 197.30 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)ethyl]thiolan-3-amine is sourced from PubChem (CID 43400292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).