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

C12H19NOS — CID 79957454

IUPACN-[2-(furan-2-yl)ethyl]-2-methylthian-3-amine
SMILESCC1SCCCC1NCCc1ccco1
InChIInChI=1S/C12H19NOS/c1-10-12(5-3-9-15-10)13-7-6-11-4-2-8-14-11/h2,4,8,10,12-13H,3,5-7,9H2,1H3
InChIKeyNXNXOXKBUYLLQC-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.70
Rot. Bonds4

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

N-[2-(furan-2-yl)ethyl]-2-methylthian-3-amine (PubChem CID 79957454) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is N-[2-(furan-2-yl)ethyl]-2-methylthian-3-amine.

Molecular Properties

Compound NameN-[2-(furan-2-yl)ethyl]-2-methylthian-3-amine
PubChem CID79957454
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC NameN-[2-(furan-2-yl)ethyl]-2-methylthian-3-amine
SMILESCC1SCCCC1NCCc1ccco1
InChIInChI=1S/C12H19NOS/c1-10-12(5-3-9-15-10)13-7-6-11-4-2-8-14-11/h2,4,8,10,12-13H,3,5-7,9H2,1H3
InChIKeyNXNXOXKBUYLLQC-UHFFFAOYSA-N
XLogP2.70
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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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Related Compounds

N-[2-(furan-2-yl)ethyl]-2-methylthiolan-3-amine
CID 102671359
N-[3-(furan-2-ylmethoxy)propyl]-2-methylthiolan-3-amine
CID 102671412
N-[2-(furan-2-yl)ethyl]thian-3-amine
CID 62873615
N-[2-(furan-2-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 64757656
2-[2-(furan-2-yl)ethylamino]cyclopentane-1-carbonitrile
CID 62741692
N-[4-(furan-2-yl)butan-2-yl]-2-methylthiolan-3-amine
CID 102671262
N-[2-(furan-2-yl)ethyl]-4-methylcycloheptan-1-amine
CID 65080639
1-(furan-2-yl)-N,N-dimethyl-N'-(2-methylthiolan-3-yl)ethane-1,2-diamine
CID 102671336
(3S,4S)-4-[2-(furan-2-yl)ethylamino]-1,1-dioxothiolan-3-ol
CID 42344850
N-[2-(furan-2-yl)ethyl]-4-propylcyclohexan-1-amine
CID 43395506
N-[2-(furan-2-yl)ethyl]-4-propylcycloheptan-1-amine
CID 65086403
2-[(2-methylthian-3-yl)amino]ethanesulfonamide
CID 79957817

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)ethyl]-2-methylthian-3-amine?
The IUPAC name of N-[2-(furan-2-yl)ethyl]-2-methylthian-3-amine (CID 79957454) is N-[2-(furan-2-yl)ethyl]-2-methylthian-3-amine.
What is the SMILES notation for N-[2-(furan-2-yl)ethyl]-2-methylthian-3-amine?
The canonical SMILES for N-[2-(furan-2-yl)ethyl]-2-methylthian-3-amine is CC1SCCCC1NCCc1ccco1.
What is the InChIKey of N-[2-(furan-2-yl)ethyl]-2-methylthian-3-amine?
The InChIKey is NXNXOXKBUYLLQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-10-12(5-3-9-15-10)13-7-6-11-4-2-8-14-11/h2,4,8,10,12-13H,3,5-7,9H2,1H3.
What are the key properties of N-[2-(furan-2-yl)ethyl]-2-methylthian-3-amine?
N-[2-(furan-2-yl)ethyl]-2-methylthian-3-amine has a molecular weight of 225.36 g/mol, XLogP of 2.70, 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-methylthian-3-amine is sourced from PubChem (CID 79957454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).