N-[[2-cyclopropyl-3-(3-methylsulfonylpropyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine

C16H31NO3S — CID 104510106

IUPACN-[[2-cyclopropyl-3-(3-methylsulfonylpropyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1(CCCS(C)(=O)=O)CCOC1C1CC1
InChIInChI=1S/C16H31NO3S/c1-13(2)11-17-12-16(7-4-10-21(3,18)19)8-9-20-15(16)14-5-6-14/h13-15,17H,4-12H2,1-3H3
InChIKeyWGTOMODLXVMVLY-UHFFFAOYSA-N
MW317.50 g/mol
LogP2.24
Rot. Bonds9

About N-[[2-cyclopropyl-3-(3-methylsulfonylpropyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine

N-[[2-cyclopropyl-3-(3-methylsulfonylpropyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine (PubChem CID 104510106) has the molecular formula C16H31NO3S and a molecular weight of 317.50 g/mol. Its IUPAC name is N-[[2-cyclopropyl-3-(3-methylsulfonylpropyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-cyclopropyl-3-(3-methylsulfonylpropyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine
PubChem CID104510106
Molecular FormulaC16H31NO3S
Molecular Weight317.50 g/mol
Exact Mass317.20
IUPAC NameN-[[2-cyclopropyl-3-(3-methylsulfonylpropyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1(CCCS(C)(=O)=O)CCOC1C1CC1
InChIInChI=1S/C16H31NO3S/c1-13(2)11-17-12-16(7-4-10-21(3,18)19)8-9-20-15(16)14-5-6-14/h13-15,17H,4-12H2,1-3H3
InChIKeyWGTOMODLXVMVLY-UHFFFAOYSA-N
XLogP2.24
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.50
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-cyclopropyl-3-(cyclopropylmethoxymethyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 106930991
[2-cyclopropyl-3-(2-methylsulfonylethyl)oxolan-3-yl]methanamine
CID 104509373
N-methyl-1-[2-methyl-3-(3-methylsulfonylpropyl)oxolan-3-yl]methanamine
CID 114534203
1-[2-cyclopropyl-3-(3-methylbutyl)oxolan-3-yl]-N-methylmethanamine
CID 104509569
N-[(2-cyclopropyl-3-hexyloxolan-3-yl)methyl]propan-2-amine
CID 104509877
N-[[3-[3-(2-methoxyethoxy)propyl]-2-methyloxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 103412755
2-methyl-N-[(2-methyl-3-nonyloxolan-3-yl)methyl]propan-1-amine
CID 114535124
N-[[2-cyclopropyl-3-(2-methylpropyl)oxolan-3-yl]methyl]-2-methoxyethanamine
CID 104510154
N-[(2-cyclopropyl-3-propyloxolan-3-yl)methyl]propan-2-amine
CID 104509924
N-[[2-cyclopropyl-3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methyl]ethanamine
CID 104509767
[2-cyclopropyl-3-(2-ethylsulfonylethyl)oxolan-3-yl]methanamine
CID 104509499
N-[[2-cyclopropyl-3-[2-(2-methylpropoxy)ethyl]oxolan-3-yl]methyl]cyclopropanamine
CID 106457296

Frequently Asked Questions

What is the IUPAC name of N-[[2-cyclopropyl-3-(3-methylsulfonylpropyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-cyclopropyl-3-(3-methylsulfonylpropyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine (CID 104510106) is N-[[2-cyclopropyl-3-(3-methylsulfonylpropyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-cyclopropyl-3-(3-methylsulfonylpropyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-cyclopropyl-3-(3-methylsulfonylpropyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCC1(CCCS(C)(=O)=O)CCOC1C1CC1.
What is the InChIKey of N-[[2-cyclopropyl-3-(3-methylsulfonylpropyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is WGTOMODLXVMVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO3S/c1-13(2)11-17-12-16(7-4-10-21(3,18)19)8-9-20-15(16)14-5-6-14/h13-15,17H,4-12H2,1-3H3.
What are the key properties of N-[[2-cyclopropyl-3-(3-methylsulfonylpropyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine?
N-[[2-cyclopropyl-3-(3-methylsulfonylpropyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 317.50 g/mol, XLogP of 2.24, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-cyclopropyl-3-(3-methylsulfonylpropyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 104510106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).