N-[[5-(oxolan-2-ylmethylsulfonylmethyl)furan-2-yl]methyl]cyclopropanamine

C14H21NO4S — CID 106496015

IUPACN-[[5-(oxolan-2-ylmethylsulfonylmethyl)furan-2-yl]methyl]cyclopropanamine
SMILESO=S(=O)(Cc1ccc(CNC2CC2)o1)CC1CCCO1
InChIInChI=1S/C14H21NO4S/c16-20(17,9-13-2-1-7-18-13)10-14-6-5-12(19-14)8-15-11-3-4-11/h5-6,11,13,15H,1-4,7-10H2
InChIKeyRKXOCPAIYFADIJ-UHFFFAOYSA-N
MW299.39 g/mol
LogP1.63
Rot. Bonds7

About N-[[5-(oxolan-2-ylmethylsulfonylmethyl)furan-2-yl]methyl]cyclopropanamine

N-[[5-(oxolan-2-ylmethylsulfonylmethyl)furan-2-yl]methyl]cyclopropanamine (PubChem CID 106496015) has the molecular formula C14H21NO4S and a molecular weight of 299.39 g/mol. Its IUPAC name is N-[[5-(oxolan-2-ylmethylsulfonylmethyl)furan-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(oxolan-2-ylmethylsulfonylmethyl)furan-2-yl]methyl]cyclopropanamine
PubChem CID106496015
Molecular FormulaC14H21NO4S
Molecular Weight299.39 g/mol
Exact Mass299.12
IUPAC NameN-[[5-(oxolan-2-ylmethylsulfonylmethyl)furan-2-yl]methyl]cyclopropanamine
SMILESO=S(=O)(Cc1ccc(CNC2CC2)o1)CC1CCCO1
InChIInChI=1S/C14H21NO4S/c16-20(17,9-13-2-1-7-18-13)10-14-6-5-12(19-14)8-15-11-3-4-11/h5-6,11,13,15H,1-4,7-10H2
InChIKeyRKXOCPAIYFADIJ-UHFFFAOYSA-N
XLogP1.63
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[5-(oxolan-2-ylmethylsulfonylmethyl)furan-2-yl]methyl]cyclopropanamine 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-[[5-(oxolan-2-ylmethylsulfonylmethyl)furan-2-yl]methyl]propan-2-amine
CID 106495988
N-[[5-[[methyl(oxolan-2-ylmethyl)amino]methyl]furan-2-yl]methyl]cyclopropanamine
CID 62435538
N-[[5-(3-methylbutan-2-ylsulfonylmethyl)furan-2-yl]methyl]cyclopropanamine
CID 107759132
N-[2-(oxolan-2-ylmethylsulfonyl)ethyl]cycloheptanamine
CID 106513640
[5-[(cyclopropylamino)methyl]furan-2-yl]methanol
CID 20559403
2-(oxolan-2-ylmethylsulfonylmethyl)furan-3-carboxylic acid
CID 106493679
2-fluoro-4-(oxolan-2-ylmethylsulfonylmethyl)benzoic acid
CID 106699009
methyl 3-bromo-4-(oxolan-2-ylmethylsulfonylmethyl)benzoate
CID 106493670
2-chloro-4-(oxolan-2-ylmethylsulfonylmethyl)pyridine
CID 122135921
1-(4-chlorophenyl)-2-(oxolan-2-ylmethylsulfonyl)ethanone
CID 106497088
N-[[1-(oxolan-2-ylmethyl)pyrrol-2-yl]methyl]cyclopropanamine
CID 66401412
3-methoxy-6-(oxan-2-ylmethylsulfonylmethyl)pyridazine
CID 167911690

Frequently Asked Questions

What is the IUPAC name of N-[[5-(oxolan-2-ylmethylsulfonylmethyl)furan-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(oxolan-2-ylmethylsulfonylmethyl)furan-2-yl]methyl]cyclopropanamine (CID 106496015) is N-[[5-(oxolan-2-ylmethylsulfonylmethyl)furan-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(oxolan-2-ylmethylsulfonylmethyl)furan-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(oxolan-2-ylmethylsulfonylmethyl)furan-2-yl]methyl]cyclopropanamine is O=S(=O)(Cc1ccc(CNC2CC2)o1)CC1CCCO1.
What is the InChIKey of N-[[5-(oxolan-2-ylmethylsulfonylmethyl)furan-2-yl]methyl]cyclopropanamine?
The InChIKey is RKXOCPAIYFADIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4S/c16-20(17,9-13-2-1-7-18-13)10-14-6-5-12(19-14)8-15-11-3-4-11/h5-6,11,13,15H,1-4,7-10H2.
What are the key properties of N-[[5-(oxolan-2-ylmethylsulfonylmethyl)furan-2-yl]methyl]cyclopropanamine?
N-[[5-(oxolan-2-ylmethylsulfonylmethyl)furan-2-yl]methyl]cyclopropanamine has a molecular weight of 299.39 g/mol, XLogP of 1.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(oxolan-2-ylmethylsulfonylmethyl)furan-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 106496015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).