N-[[1-(oxolan-2-ylmethylsulfonyl)piperidin-2-yl]methyl]propan-1-amine

C14H28N2O3S — CID 63877750

IUPACN-[[1-(oxolan-2-ylmethylsulfonyl)piperidin-2-yl]methyl]propan-1-amine
SMILESCCCNCC1CCCCN1S(=O)(=O)CC1CCCO1
InChIInChI=1S/C14H28N2O3S/c1-2-8-15-11-13-6-3-4-9-16(13)20(17,18)12-14-7-5-10-19-14/h13-15H,2-12H2,1H3
InChIKeyPDCUBLVHAZUWQW-UHFFFAOYSA-N
MW304.46 g/mol
LogP1.35
Rot. Bonds7

About N-[[1-(oxolan-2-ylmethylsulfonyl)piperidin-2-yl]methyl]propan-1-amine

N-[[1-(oxolan-2-ylmethylsulfonyl)piperidin-2-yl]methyl]propan-1-amine (PubChem CID 63877750) has the molecular formula C14H28N2O3S and a molecular weight of 304.46 g/mol. Its IUPAC name is N-[[1-(oxolan-2-ylmethylsulfonyl)piperidin-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(oxolan-2-ylmethylsulfonyl)piperidin-2-yl]methyl]propan-1-amine
PubChem CID63877750
Molecular FormulaC14H28N2O3S
Molecular Weight304.46 g/mol
Exact Mass304.18
IUPAC NameN-[[1-(oxolan-2-ylmethylsulfonyl)piperidin-2-yl]methyl]propan-1-amine
SMILESCCCNCC1CCCCN1S(=O)(=O)CC1CCCO1
InChIInChI=1S/C14H28N2O3S/c1-2-8-15-11-13-6-3-4-9-16(13)20(17,18)12-14-7-5-10-19-14/h13-15H,2-12H2,1H3
InChIKeyPDCUBLVHAZUWQW-UHFFFAOYSA-N
XLogP1.35
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(oxolan-2-ylmethylsulfonyl)piperidin-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(oxolan-2-ylmethylsulfonyl)piperidin-2-yl]methyl]propan-1-amine (CID 63877750) is N-[[1-(oxolan-2-ylmethylsulfonyl)piperidin-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(oxolan-2-ylmethylsulfonyl)piperidin-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(oxolan-2-ylmethylsulfonyl)piperidin-2-yl]methyl]propan-1-amine is CCCNCC1CCCCN1S(=O)(=O)CC1CCCO1.
What is the InChIKey of N-[[1-(oxolan-2-ylmethylsulfonyl)piperidin-2-yl]methyl]propan-1-amine?
The InChIKey is PDCUBLVHAZUWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3S/c1-2-8-15-11-13-6-3-4-9-16(13)20(17,18)12-14-7-5-10-19-14/h13-15H,2-12H2,1H3.
What are the key properties of N-[[1-(oxolan-2-ylmethylsulfonyl)piperidin-2-yl]methyl]propan-1-amine?
N-[[1-(oxolan-2-ylmethylsulfonyl)piperidin-2-yl]methyl]propan-1-amine has a molecular weight of 304.46 g/mol, XLogP of 1.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(oxolan-2-ylmethylsulfonyl)piperidin-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 63877750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).