4-(furan-2-ylmethyl)-N-methylthiolan-3-amine

C10H15NOS — CID 83195567

IUPAC4-(furan-2-ylmethyl)-N-methylthiolan-3-amine
SMILESCNC1CSCC1Cc1ccco1
InChIInChI=1S/C10H15NOS/c1-11-10-7-13-6-8(10)5-9-3-2-4-12-9/h2-4,8,10-11H,5-7H2,1H3
InChIKeyWKTPXXBZAKDUAB-UHFFFAOYSA-N
MW197.30 g/mol
LogP1.77
Rot. Bonds3

About 4-(furan-2-ylmethyl)-N-methylthiolan-3-amine

4-(furan-2-ylmethyl)-N-methylthiolan-3-amine (PubChem CID 83195567) has the molecular formula C10H15NOS and a molecular weight of 197.30 g/mol. Its IUPAC name is 4-(furan-2-ylmethyl)-N-methylthiolan-3-amine.

Molecular Properties

Compound Name4-(furan-2-ylmethyl)-N-methylthiolan-3-amine
PubChem CID83195567
Molecular FormulaC10H15NOS
Molecular Weight197.30 g/mol
Exact Mass197.09
IUPAC Name4-(furan-2-ylmethyl)-N-methylthiolan-3-amine
SMILESCNC1CSCC1Cc1ccco1
InChIInChI=1S/C10H15NOS/c1-11-10-7-13-6-8(10)5-9-3-2-4-12-9/h2-4,8,10-11H,5-7H2,1H3
InChIKeyWKTPXXBZAKDUAB-UHFFFAOYSA-N
XLogP1.77
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 ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclobutylmethyl)furan
CID 139469251
1-(furan-2-ylmethyl)-N-methylpiperidin-4-amine;hydrochloride
CID 86253291
2-(furan-2-ylmethyl)cycloheptan-1-ol
CID 62999043
N-[(1S,2R)-2-(furan-2-ylmethyl)cyclohexyl]adamantane-1-carboxamide
CID 40573046
4-[[1-(furan-2-yl)propan-2-ylamino]methyl]-N-methyloxolan-3-amine
CID 66247559
4-tert-butyl-N-ethyl-2-(furan-2-ylmethyl)cyclohexan-1-amine
CID 63401760
1-cycloheptyl-2-(furan-2-yl)-N-methylethanamine
CID 83175244
4-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-N-methylthiolan-3-amine
CID 83196824
2-(furan-2-ylmethylsulfanyl)-N,4-dimethylcyclohexan-1-amine
CID 64609500
1-[2-(furan-2-yl)ethyl]-N,2,3-trimethylpiperidin-4-amine
CID 79398564
2-(furan-2-ylmethyl)oxan-3-amine
CID 82408405
1-(furan-2-ylmethyl)-2-methylhydrazine
CID 119094029

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-ylmethyl)-N-methylthiolan-3-amine?
The IUPAC name of 4-(furan-2-ylmethyl)-N-methylthiolan-3-amine (CID 83195567) is 4-(furan-2-ylmethyl)-N-methylthiolan-3-amine.
What is the SMILES notation for 4-(furan-2-ylmethyl)-N-methylthiolan-3-amine?
The canonical SMILES for 4-(furan-2-ylmethyl)-N-methylthiolan-3-amine is CNC1CSCC1Cc1ccco1.
What is the InChIKey of 4-(furan-2-ylmethyl)-N-methylthiolan-3-amine?
The InChIKey is WKTPXXBZAKDUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS/c1-11-10-7-13-6-8(10)5-9-3-2-4-12-9/h2-4,8,10-11H,5-7H2,1H3.
What are the key properties of 4-(furan-2-ylmethyl)-N-methylthiolan-3-amine?
4-(furan-2-ylmethyl)-N-methylthiolan-3-amine has a molecular weight of 197.30 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-ylmethyl)-N-methylthiolan-3-amine is sourced from PubChem (CID 83195567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).