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

C14H29N3O3S — CID 63003824

IUPACN-[[3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]propan-1-amine
SMILESCCCNCC1(CN2CCN(S(C)(=O)=O)CC2)CCOC1
InChIInChI=1S/C14H29N3O3S/c1-3-5-15-11-14(4-10-20-13-14)12-16-6-8-17(9-7-16)21(2,18)19/h15H,3-13H2,1-2H3
InChIKeyLRXLZQLJQOXHPE-UHFFFAOYSA-N
MW319.47 g/mol
LogP-0.03
Rot. Bonds7

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

N-[[3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]propan-1-amine (PubChem CID 63003824) has the molecular formula C14H29N3O3S and a molecular weight of 319.47 g/mol. Its IUPAC name is N-[[3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]propan-1-amine
PubChem CID63003824
Molecular FormulaC14H29N3O3S
Molecular Weight319.47 g/mol
Exact Mass319.19
IUPAC NameN-[[3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]propan-1-amine
SMILESCCCNCC1(CN2CCN(S(C)(=O)=O)CC2)CCOC1
InChIInChI=1S/C14H29N3O3S/c1-3-5-15-11-14(4-10-20-13-14)12-16-6-8-17(9-7-16)21(2,18)19/h15H,3-13H2,1-2H3
InChIKeyLRXLZQLJQOXHPE-UHFFFAOYSA-N
XLogP-0.03
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.47
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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]ethanamine
CID 63003823
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]propan-1-amine?
The IUPAC name of N-[[3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]propan-1-amine (CID 63003824) is N-[[3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]propan-1-amine is CCCNCC1(CN2CCN(S(C)(=O)=O)CC2)CCOC1.
What is the InChIKey of N-[[3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]propan-1-amine?
The InChIKey is LRXLZQLJQOXHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O3S/c1-3-5-15-11-14(4-10-20-13-14)12-16-6-8-17(9-7-16)21(2,18)19/h15H,3-13H2,1-2H3.
What are the key properties of N-[[3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]propan-1-amine?
N-[[3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]propan-1-amine has a molecular weight of 319.47 g/mol, XLogP of -0.03, 7 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]propan-1-amine is sourced from PubChem (CID 63003824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).