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

C14H29N3O3S — CID 63005065

IUPACN-[[4-[(4-methylsulfonylpiperazin-1-yl)methyl]oxan-4-yl]methyl]ethanamine
SMILESCCNCC1(CN2CCN(S(C)(=O)=O)CC2)CCOCC1
InChIInChI=1S/C14H29N3O3S/c1-3-15-12-14(4-10-20-11-5-14)13-16-6-8-17(9-7-16)21(2,18)19/h15H,3-13H2,1-2H3
InChIKeySMVSLQOAHUPTKC-UHFFFAOYSA-N
MW319.47 g/mol
LogP-0.03
Rot. Bonds6

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

N-[[4-[(4-methylsulfonylpiperazin-1-yl)methyl]oxan-4-yl]methyl]ethanamine (PubChem CID 63005065) has the molecular formula C14H29N3O3S and a molecular weight of 319.47 g/mol. Its IUPAC name is N-[[4-[(4-methylsulfonylpiperazin-1-yl)methyl]oxan-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-[(4-methylsulfonylpiperazin-1-yl)methyl]oxan-4-yl]methyl]ethanamine
PubChem CID63005065
Molecular FormulaC14H29N3O3S
Molecular Weight319.47 g/mol
Exact Mass319.19
IUPAC NameN-[[4-[(4-methylsulfonylpiperazin-1-yl)methyl]oxan-4-yl]methyl]ethanamine
SMILESCCNCC1(CN2CCN(S(C)(=O)=O)CC2)CCOCC1
InChIInChI=1S/C14H29N3O3S/c1-3-15-12-14(4-10-20-11-5-14)13-16-6-8-17(9-7-16)21(2,18)19/h15H,3-13H2,1-2H3
InChIKeySMVSLQOAHUPTKC-UHFFFAOYSA-N
XLogP-0.03
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
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

Analyze N-[[4-[(4-methylsulfonylpiperazin-1-yl)methyl]oxan-4-yl]methyl]ethanamine with MolForge

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Related Compounds

N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-methylmethanesulfonamide
CID 166979044
N-[[4-[(4-methylpiperazin-1-yl)methyl]oxan-4-yl]methyl]propan-1-amine
CID 55066086
N-methyl-1-[3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methanamine
CID 55133515
[4-[(4-Methylsulfonylpiperazin-1-yl)methyl]oxan-4-yl]methanamine
CID 55133904
N-(oxan-4-ylmethyl)-2-piperazin-1-ylethanesulfonamide
CID 55225882
N-ethyl-N-[3-(oxan-4-ylmethylamino)propyl]methanesulfonamide
CID 62385679
N-[2-(oxan-4-ylmethylamino)ethyl]methanesulfonamide
CID 62386037
1-methylsulfonyl-N-(oxan-4-ylmethyl)piperidin-4-amine
CID 62386768
1-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]-N-methylmethanamine
CID 62390256
N-[[4-[(4-methylpiperazin-1-yl)methyl]oxan-4-yl]methyl]ethanamine
CID 62390933
N-[[4-[(4-ethylpiperazin-1-yl)methyl]oxan-4-yl]methyl]ethanamine
CID 62391111
N-[[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]methyl]ethanamine
CID 62392696

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-methylsulfonylpiperazin-1-yl)methyl]oxan-4-yl]methyl]ethanamine?
The IUPAC name of N-[[4-[(4-methylsulfonylpiperazin-1-yl)methyl]oxan-4-yl]methyl]ethanamine (CID 63005065) is N-[[4-[(4-methylsulfonylpiperazin-1-yl)methyl]oxan-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-[(4-methylsulfonylpiperazin-1-yl)methyl]oxan-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-[(4-methylsulfonylpiperazin-1-yl)methyl]oxan-4-yl]methyl]ethanamine is CCNCC1(CN2CCN(S(C)(=O)=O)CC2)CCOCC1.
What is the InChIKey of N-[[4-[(4-methylsulfonylpiperazin-1-yl)methyl]oxan-4-yl]methyl]ethanamine?
The InChIKey is SMVSLQOAHUPTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O3S/c1-3-15-12-14(4-10-20-11-5-14)13-16-6-8-17(9-7-16)21(2,18)19/h15H,3-13H2,1-2H3.
What are the key properties of N-[[4-[(4-methylsulfonylpiperazin-1-yl)methyl]oxan-4-yl]methyl]ethanamine?
N-[[4-[(4-methylsulfonylpiperazin-1-yl)methyl]oxan-4-yl]methyl]ethanamine has a molecular weight of 319.47 g/mol, XLogP of -0.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4-methylsulfonylpiperazin-1-yl)methyl]oxan-4-yl]methyl]ethanamine is sourced from PubChem (CID 63005065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).