N-[[3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine

C14H29N3O3S — CID 63003825

IUPACN-[[3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1(CN2CCN(S(C)(=O)=O)CC2)CCOC1
InChIInChI=1S/C14H29N3O3S/c1-13(2)15-10-14(4-9-20-12-14)11-16-5-7-17(8-6-16)21(3,18)19/h13,15H,4-12H2,1-3H3
InChIKeyOYUDYUJBJNAVMV-UHFFFAOYSA-N
MW319.47 g/mol
LogP-0.03
Rot. Bonds6

About N-[[3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine

N-[[3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine (PubChem CID 63003825) 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-2-amine.

Molecular Properties

Compound NameN-[[3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine
PubChem CID63003825
Molecular FormulaC14H29N3O3S
Molecular Weight319.47 g/mol
Exact Mass319.19
IUPAC NameN-[[3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1(CN2CCN(S(C)(=O)=O)CC2)CCOC1
InChIInChI=1S/C14H29N3O3S/c1-13(2)15-10-14(4-9-20-12-14)11-16-5-7-17(8-6-16)21(3,18)19/h13,15H,4-12H2,1-3H3
InChIKeyOYUDYUJBJNAVMV-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

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine (CID 63003825) is N-[[3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine is CC(C)NCC1(CN2CCN(S(C)(=O)=O)CC2)CCOC1.
What is the InChIKey of N-[[3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine?
The InChIKey is OYUDYUJBJNAVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O3S/c1-13(2)15-10-14(4-9-20-12-14)11-16-5-7-17(8-6-16)21(3,18)19/h13,15H,4-12H2,1-3H3.
What are the key properties of N-[[3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine?
N-[[3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine 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-[[3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 63003825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).