N-[[5-(oxan-4-ylsulfanylmethyl)furan-2-yl]methyl]cyclopropanamine

C14H21NO2S — CID 113372589

IUPACN-[[5-(oxan-4-ylsulfanylmethyl)furan-2-yl]methyl]cyclopropanamine
SMILESc1cc(CSC2CCOCC2)oc1CNC1CC1
InChIInChI=1S/C14H21NO2S/c1-2-11(1)15-9-12-3-4-13(17-12)10-18-14-5-7-16-8-6-14/h3-4,11,14-15H,1-2,5-10H2
InChIKeyVERMYONXHLGAHI-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.94
Rot. Bonds6

About N-[[5-(oxan-4-ylsulfanylmethyl)furan-2-yl]methyl]cyclopropanamine

N-[[5-(oxan-4-ylsulfanylmethyl)furan-2-yl]methyl]cyclopropanamine (PubChem CID 113372589) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is N-[[5-(oxan-4-ylsulfanylmethyl)furan-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(oxan-4-ylsulfanylmethyl)furan-2-yl]methyl]cyclopropanamine
PubChem CID113372589
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC NameN-[[5-(oxan-4-ylsulfanylmethyl)furan-2-yl]methyl]cyclopropanamine
SMILESc1cc(CSC2CCOCC2)oc1CNC1CC1
InChIInChI=1S/C14H21NO2S/c1-2-11(1)15-9-12-3-4-13(17-12)10-18-14-5-7-16-8-6-14/h3-4,11,14-15H,1-2,5-10H2
InChIKeyVERMYONXHLGAHI-UHFFFAOYSA-N
XLogP2.94
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Furan-2-yl)-1,3-thiazolidine
CID 593153
2-(2-Furanyl)-4-thiazolidinecarboxylic acid
CID 2827740
5-(((2-Aminoethyl)thio)methyl)-N,N-dimethyl-2-furanmethanamine
CID 162203
4-[(5-Methyl-2-furyl)methyl]-1lambda~6~,4-thiazinane-1,1-dione
CID 3652335
N-(furan-2-ylmethyl)-3-[3-(furan-2-ylmethylamino)-3-oxopropyl]sulfanylpropanamide
CID 557197
N-[(5-methyl-2-furyl)methyl]ethanamine
CID 4777647
N-Furan-2-ylmethyl-2-phenylsulfanyl-acetamide
CID 800685
4-[[5-(Thiomorpholin-4-ylmethyl)furan-2-yl]methyl]thiomorpholine
CID 20481164
N-(2-Furanylmethyl)-4-morpholinepropanamine
CID 3312689
N-(furan-2-ylmethyl)cyclopentanamine
CID 1080489
(Furan-2-ylmethyl)(hexyl)amine
CID 4722616
((Furan-2-yl)methyl)(propan-2-yl)amine
CID 12572948

Frequently Asked Questions

What is the IUPAC name of N-[[5-(oxan-4-ylsulfanylmethyl)furan-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(oxan-4-ylsulfanylmethyl)furan-2-yl]methyl]cyclopropanamine (CID 113372589) is N-[[5-(oxan-4-ylsulfanylmethyl)furan-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(oxan-4-ylsulfanylmethyl)furan-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(oxan-4-ylsulfanylmethyl)furan-2-yl]methyl]cyclopropanamine is c1cc(CSC2CCOCC2)oc1CNC1CC1.
What is the InChIKey of N-[[5-(oxan-4-ylsulfanylmethyl)furan-2-yl]methyl]cyclopropanamine?
The InChIKey is VERMYONXHLGAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-2-11(1)15-9-12-3-4-13(17-12)10-18-14-5-7-16-8-6-14/h3-4,11,14-15H,1-2,5-10H2.
What are the key properties of N-[[5-(oxan-4-ylsulfanylmethyl)furan-2-yl]methyl]cyclopropanamine?
N-[[5-(oxan-4-ylsulfanylmethyl)furan-2-yl]methyl]cyclopropanamine has a molecular weight of 267.39 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(oxan-4-ylsulfanylmethyl)furan-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 113372589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).