N-[[2-methyl-3-(2-propan-2-ylsulfonylethyl)oxolan-3-yl]methyl]cyclopropanamine

C14H27NO3S — CID 106730412

IUPACN-[[2-methyl-3-(2-propan-2-ylsulfonylethyl)oxolan-3-yl]methyl]cyclopropanamine
SMILESCC1OCCC1(CCS(=O)(=O)C(C)C)CNC1CC1
InChIInChI=1S/C14H27NO3S/c1-11(2)19(16,17)9-7-14(6-8-18-12(14)3)10-15-13-4-5-13/h11-13,15H,4-10H2,1-3H3
InChIKeyARRCAMMMVGEUFW-UHFFFAOYSA-N
MW289.44 g/mol
LogP1.75
Rot. Bonds7

About N-[[2-methyl-3-(2-propan-2-ylsulfonylethyl)oxolan-3-yl]methyl]cyclopropanamine

N-[[2-methyl-3-(2-propan-2-ylsulfonylethyl)oxolan-3-yl]methyl]cyclopropanamine (PubChem CID 106730412) has the molecular formula C14H27NO3S and a molecular weight of 289.44 g/mol. Its IUPAC name is N-[[2-methyl-3-(2-propan-2-ylsulfonylethyl)oxolan-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-methyl-3-(2-propan-2-ylsulfonylethyl)oxolan-3-yl]methyl]cyclopropanamine
PubChem CID106730412
Molecular FormulaC14H27NO3S
Molecular Weight289.44 g/mol
Exact Mass289.17
IUPAC NameN-[[2-methyl-3-(2-propan-2-ylsulfonylethyl)oxolan-3-yl]methyl]cyclopropanamine
SMILESCC1OCCC1(CCS(=O)(=O)C(C)C)CNC1CC1
InChIInChI=1S/C14H27NO3S/c1-11(2)19(16,17)9-7-14(6-8-18-12(14)3)10-15-13-4-5-13/h11-13,15H,4-10H2,1-3H3
InChIKeyARRCAMMMVGEUFW-UHFFFAOYSA-N
XLogP1.75
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-methyl-3-(2-propan-2-ylsulfonylethyl)oxolan-3-yl]methanamine
CID 106730398
N-[[2-methyl-3-(3-methylsulfanylpropyl)oxolan-3-yl]methyl]cyclopropanamine
CID 114534915
N-[[3-(3-methoxy-3-methylbutyl)-2-methyloxolan-3-yl]methyl]cyclopropanamine
CID 103037001
N-[[3-(2-tert-butylsulfonylethyl)-2-methyloxolan-3-yl]methyl]propan-2-amine
CID 106730407
N-[[3-(3-ethylsulfonylpropyl)-2-methyloxolan-3-yl]methyl]propan-2-amine
CID 114534670
N-[[3-(2-ethylsulfonylethyl)-2-methyloxolan-3-yl]methyl]-2-methylpropan-2-amine
CID 114535054
N-[[3-[(2,6-dimethylphenyl)methyl]-2-methyloxolan-3-yl]methyl]cyclopropanamine
CID 114534899
N-[[2-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]oxolan-3-yl]methyl]cyclopropanamine
CID 103014853
N-methyl-1-[2-methyl-3-(3-methylsulfonylpropyl)oxolan-3-yl]methanamine
CID 114534203
N-[[3-[(2-chlorophenyl)methyl]-2-methyloxolan-3-yl]methyl]cyclopropanamine
CID 114534792
N-[[3-[(3,4-difluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]cyclopropanamine
CID 114534816
N-[[3-[(2-bromophenyl)methyl]-2-methyloxolan-3-yl]methyl]cyclopropanamine
CID 114534859

Frequently Asked Questions

What is the IUPAC name of N-[[2-methyl-3-(2-propan-2-ylsulfonylethyl)oxolan-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-methyl-3-(2-propan-2-ylsulfonylethyl)oxolan-3-yl]methyl]cyclopropanamine (CID 106730412) is N-[[2-methyl-3-(2-propan-2-ylsulfonylethyl)oxolan-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-methyl-3-(2-propan-2-ylsulfonylethyl)oxolan-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-methyl-3-(2-propan-2-ylsulfonylethyl)oxolan-3-yl]methyl]cyclopropanamine is CC1OCCC1(CCS(=O)(=O)C(C)C)CNC1CC1.
What is the InChIKey of N-[[2-methyl-3-(2-propan-2-ylsulfonylethyl)oxolan-3-yl]methyl]cyclopropanamine?
The InChIKey is ARRCAMMMVGEUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3S/c1-11(2)19(16,17)9-7-14(6-8-18-12(14)3)10-15-13-4-5-13/h11-13,15H,4-10H2,1-3H3.
What are the key properties of N-[[2-methyl-3-(2-propan-2-ylsulfonylethyl)oxolan-3-yl]methyl]cyclopropanamine?
N-[[2-methyl-3-(2-propan-2-ylsulfonylethyl)oxolan-3-yl]methyl]cyclopropanamine has a molecular weight of 289.44 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-methyl-3-(2-propan-2-ylsulfonylethyl)oxolan-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 106730412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).