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

C11H17NOS — CID 102671359

IUPACN-[2-(furan-2-yl)ethyl]-2-methylthiolan-3-amine
SMILESCC1SCCC1NCCc1ccco1
InChIInChI=1S/C11H17NOS/c1-9-11(5-8-14-9)12-6-4-10-3-2-7-13-10/h2-3,7,9,11-12H,4-6,8H2,1H3
InChIKeyZBYJFGYNPTXQOW-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.31
Rot. Bonds4

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

N-[2-(furan-2-yl)ethyl]-2-methylthiolan-3-amine (PubChem CID 102671359) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is N-[2-(furan-2-yl)ethyl]-2-methylthiolan-3-amine.

Molecular Properties

Compound NameN-[2-(furan-2-yl)ethyl]-2-methylthiolan-3-amine
PubChem CID102671359
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC NameN-[2-(furan-2-yl)ethyl]-2-methylthiolan-3-amine
SMILESCC1SCCC1NCCc1ccco1
InChIInChI=1S/C11H17NOS/c1-9-11(5-8-14-9)12-6-4-10-3-2-7-13-10/h2-3,7,9,11-12H,4-6,8H2,1H3
InChIKeyZBYJFGYNPTXQOW-UHFFFAOYSA-N
XLogP2.31
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(furan-2-yl)ethyl]-2-methylthiolan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(furan-2-yl)ethyl]-2-methylthian-3-amine
CID 79957454
N-[3-(furan-2-ylmethoxy)propyl]-2-methylthiolan-3-amine
CID 102671412
N-[4-(furan-2-yl)butan-2-yl]-2-methylthiolan-3-amine
CID 102671262
1-(furan-2-yl)-N,N-dimethyl-N'-(2-methylthiolan-3-yl)ethane-1,2-diamine
CID 102671336
N-[2-(furan-2-yl)ethyl]thian-3-amine
CID 62873615
N-[2-(furan-2-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 64757656
N-[2-(furan-2-yl)ethyl]-4-methylcycloheptan-1-amine
CID 65080639
2-[2-(furan-2-yl)ethylamino]cyclopentane-1-carbonitrile
CID 62741692
(3S,4S)-4-[2-(furan-2-yl)ethylamino]-1,1-dioxothiolan-3-ol
CID 42344850
2-methyl-N-[2-(2-methylphenyl)ethyl]thian-3-amine
CID 79956706
N-[2-(furan-2-yl)ethyl]-4-propylcyclohexan-1-amine
CID 43395506
N-[2-(furan-2-yl)ethyl]-3-methoxycyclobutan-1-amine
CID 104870790

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)ethyl]-2-methylthiolan-3-amine?
The IUPAC name of N-[2-(furan-2-yl)ethyl]-2-methylthiolan-3-amine (CID 102671359) is N-[2-(furan-2-yl)ethyl]-2-methylthiolan-3-amine.
What is the SMILES notation for N-[2-(furan-2-yl)ethyl]-2-methylthiolan-3-amine?
The canonical SMILES for N-[2-(furan-2-yl)ethyl]-2-methylthiolan-3-amine is CC1SCCC1NCCc1ccco1.
What is the InChIKey of N-[2-(furan-2-yl)ethyl]-2-methylthiolan-3-amine?
The InChIKey is ZBYJFGYNPTXQOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-9-11(5-8-14-9)12-6-4-10-3-2-7-13-10/h2-3,7,9,11-12H,4-6,8H2,1H3.
What are the key properties of N-[2-(furan-2-yl)ethyl]-2-methylthiolan-3-amine?
N-[2-(furan-2-yl)ethyl]-2-methylthiolan-3-amine has a molecular weight of 211.33 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)ethyl]-2-methylthiolan-3-amine is sourced from PubChem (CID 102671359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).