N-[[5-(3-methylbutan-2-ylsulfonylmethyl)furan-2-yl]methyl]cyclopropanamine

C14H23NO3S — CID 107759132

IUPACN-[[5-(3-methylbutan-2-ylsulfonylmethyl)furan-2-yl]methyl]cyclopropanamine
SMILESCC(C)C(C)S(=O)(=O)Cc1ccc(CNC2CC2)o1
InChIInChI=1S/C14H23NO3S/c1-10(2)11(3)19(16,17)9-14-7-6-13(18-14)8-15-12-4-5-12/h6-7,10-12,15H,4-5,8-9H2,1-3H3
InChIKeyPCYIASNADCAUNJ-UHFFFAOYSA-N
MW285.41 g/mol
LogP2.49
Rot. Bonds7

About N-[[5-(3-methylbutan-2-ylsulfonylmethyl)furan-2-yl]methyl]cyclopropanamine

N-[[5-(3-methylbutan-2-ylsulfonylmethyl)furan-2-yl]methyl]cyclopropanamine (PubChem CID 107759132) has the molecular formula C14H23NO3S and a molecular weight of 285.41 g/mol. Its IUPAC name is N-[[5-(3-methylbutan-2-ylsulfonylmethyl)furan-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(3-methylbutan-2-ylsulfonylmethyl)furan-2-yl]methyl]cyclopropanamine
PubChem CID107759132
Molecular FormulaC14H23NO3S
Molecular Weight285.41 g/mol
Exact Mass285.14
IUPAC NameN-[[5-(3-methylbutan-2-ylsulfonylmethyl)furan-2-yl]methyl]cyclopropanamine
SMILESCC(C)C(C)S(=O)(=O)Cc1ccc(CNC2CC2)o1
InChIInChI=1S/C14H23NO3S/c1-10(2)11(3)19(16,17)9-14-7-6-13(18-14)8-15-12-4-5-12/h6-7,10-12,15H,4-5,8-9H2,1-3H3
InChIKeyPCYIASNADCAUNJ-UHFFFAOYSA-N
XLogP2.49
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(5-Methyl-2-furyl)methyl]-1lambda~6~,4-thiazinane-1,1-dione
CID 3652335
5-(((2-Aminoethyl)thio)methyl)-N,N-dimethyl-2-furanmethanamine
CID 162203
N-butyl-2-(furan-2-ylmethylamino)ethanesulfonamide
CID 44602033
4-[(2-Furylmethyl)amino]-3-hydroxythiolane-1,1-dione
CID 650403
2-(furan-2-ylmethylamino)-N-octylethanesulfonamide
CID 45479984
1-(Furan-2-ylmethyl)-3-(3-methyl-1,1-dioxidotetrahydrothiophen-3-yl)urea
CID 3646165
N-(1-Methyl-2-phenylethyl)-5-((methylthio)methyl)-2-furanmethanamine
CID 32034
Iem 538
CID 32035
n-((5-((Methylthio)methyl)furan-2-yl)methyl)-2-morpholinoethan-1-amine
CID 43764247
N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-3-morpholin-4-ylpropan-1-amine
CID 43769538
N-cyclohexyl-2-(furan-2-ylmethylamino)ethanesulfonamide
CID 45479983
N-((1,1-dioxidotetrahydrothiophen-3-yl)methyl)furan-2-carboxamide
CID 45808545

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-methylbutan-2-ylsulfonylmethyl)furan-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(3-methylbutan-2-ylsulfonylmethyl)furan-2-yl]methyl]cyclopropanamine (CID 107759132) is N-[[5-(3-methylbutan-2-ylsulfonylmethyl)furan-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(3-methylbutan-2-ylsulfonylmethyl)furan-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(3-methylbutan-2-ylsulfonylmethyl)furan-2-yl]methyl]cyclopropanamine is CC(C)C(C)S(=O)(=O)Cc1ccc(CNC2CC2)o1.
What is the InChIKey of N-[[5-(3-methylbutan-2-ylsulfonylmethyl)furan-2-yl]methyl]cyclopropanamine?
The InChIKey is PCYIASNADCAUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3S/c1-10(2)11(3)19(16,17)9-14-7-6-13(18-14)8-15-12-4-5-12/h6-7,10-12,15H,4-5,8-9H2,1-3H3.
What are the key properties of N-[[5-(3-methylbutan-2-ylsulfonylmethyl)furan-2-yl]methyl]cyclopropanamine?
N-[[5-(3-methylbutan-2-ylsulfonylmethyl)furan-2-yl]methyl]cyclopropanamine has a molecular weight of 285.41 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-methylbutan-2-ylsulfonylmethyl)furan-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 107759132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).