N-[[3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]ethanamine

C13H27N3O3S — CID 63003823

IUPACN-[[3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]ethanamine
SMILESCCNCC1(CN2CCN(S(C)(=O)=O)CC2)CCOC1
InChIInChI=1S/C13H27N3O3S/c1-3-14-10-13(4-9-19-12-13)11-15-5-7-16(8-6-15)20(2,17)18/h14H,3-12H2,1-2H3
InChIKeyNXFNMPVLWCRHNH-UHFFFAOYSA-N
MW305.44 g/mol
LogP-0.42
Rot. Bonds6

About N-[[3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]ethanamine

N-[[3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]ethanamine (PubChem CID 63003823) has the molecular formula C13H27N3O3S and a molecular weight of 305.44 g/mol. Its IUPAC name is N-[[3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]ethanamine
PubChem CID63003823
Molecular FormulaC13H27N3O3S
Molecular Weight305.44 g/mol
Exact Mass305.18
IUPAC NameN-[[3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]ethanamine
SMILESCCNCC1(CN2CCN(S(C)(=O)=O)CC2)CCOC1
InChIInChI=1S/C13H27N3O3S/c1-3-14-10-13(4-9-19-12-13)11-15-5-7-16(8-6-15)20(2,17)18/h14H,3-12H2,1-2H3
InChIKeyNXFNMPVLWCRHNH-UHFFFAOYSA-N
XLogP-0.42
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(oxolan-3-ylmethylamino)ethyl]methanesulfonamide
CID 43208180
N-[[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methyl]propan-1-amine
CID 55051784
N-methyl-1-[3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methanamine
CID 55133515
2-(4-methylsulfonylpiperazin-1-yl)-N-(oxolan-3-ylmethyl)ethanamine
CID 55133714
N-ethyl-N-[3-(oxolan-3-ylmethylamino)propyl]methanesulfonamide
CID 61013538
N-ethyl-N-(oxolan-3-ylmethyl)piperazine-1-sulfonamide
CID 61254765
N-[[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methyl]ethanamine
CID 62256664
N-(oxolan-3-ylmethyl)-2-piperazin-1-ylethanesulfonamide
CID 62822794
N-methyl-1-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]oxan-4-yl]methanamine
CID 63002399
N-[[3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]propan-1-amine
CID 63003824
N-[[3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine
CID 63003825
N-[[3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine
CID 63003999

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]ethanamine?
The IUPAC name of N-[[3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]ethanamine (CID 63003823) is N-[[3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]ethanamine is CCNCC1(CN2CCN(S(C)(=O)=O)CC2)CCOC1.
What is the InChIKey of N-[[3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]ethanamine?
The InChIKey is NXFNMPVLWCRHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O3S/c1-3-14-10-13(4-9-19-12-13)11-15-5-7-16(8-6-15)20(2,17)18/h14H,3-12H2,1-2H3.
What are the key properties of N-[[3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]ethanamine?
N-[[3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]ethanamine has a molecular weight of 305.44 g/mol, XLogP of -0.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]ethanamine is sourced from PubChem (CID 63003823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).