N-[[1-(oxan-4-ylsulfonyl)piperidin-3-yl]methyl]propan-2-amine

C14H28N2O3S — CID 63241472

IUPACN-[[1-(oxan-4-ylsulfonyl)piperidin-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCCN(S(=O)(=O)C2CCOCC2)C1
InChIInChI=1S/C14H28N2O3S/c1-12(2)15-10-13-4-3-7-16(11-13)20(17,18)14-5-8-19-9-6-14/h12-15H,3-11H2,1-2H3
InChIKeyDQVPHSMCYWYAIS-UHFFFAOYSA-N
MW304.46 g/mol
LogP1.21
Rot. Bonds5

About N-[[1-(oxan-4-ylsulfonyl)piperidin-3-yl]methyl]propan-2-amine

N-[[1-(oxan-4-ylsulfonyl)piperidin-3-yl]methyl]propan-2-amine (PubChem CID 63241472) has the molecular formula C14H28N2O3S and a molecular weight of 304.46 g/mol. Its IUPAC name is N-[[1-(oxan-4-ylsulfonyl)piperidin-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(oxan-4-ylsulfonyl)piperidin-3-yl]methyl]propan-2-amine
PubChem CID63241472
Molecular FormulaC14H28N2O3S
Molecular Weight304.46 g/mol
Exact Mass304.18
IUPAC NameN-[[1-(oxan-4-ylsulfonyl)piperidin-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCCN(S(=O)(=O)C2CCOCC2)C1
InChIInChI=1S/C14H28N2O3S/c1-12(2)15-10-13-4-3-7-16(11-13)20(17,18)14-5-8-19-9-6-14/h12-15H,3-11H2,1-2H3
InChIKeyDQVPHSMCYWYAIS-UHFFFAOYSA-N
XLogP1.21
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[1-(oxan-4-ylsulfonyl)piperidin-3-yl]methyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-N-[[1-(oxan-4-ylsulfonyl)piperidin-3-yl]methyl]propan-1-amine
CID 63878590
N-[[1-(oxan-4-ylsulfonyl)piperidin-3-yl]methyl]ethanamine
CID 63880149
1-(oxan-4-ylsulfonyl)-3-[(sulfamoylamino)methyl]piperidine
CID 62048466
2-methoxy-N-[[1-(oxan-4-ylsulfonyl)piperidin-3-yl]methyl]ethanamine
CID 63880331
1-(1-cyclopentylsulfonylpiperidin-3-yl)-N-methylmethanamine
CID 115752117
N-[(1-cyclohexylsulfonylpiperidin-4-yl)methyl]propan-2-amine
CID 63877943
1-cyclohexylsulfonyl-3-[(sulfamoylamino)methyl]piperidine
CID 61132450
1-cyclopropylsulfonyl-3-(methoxymethyl)piperidine
CID 121092342
3-[(propan-2-ylamino)methyl]-N-(thian-4-yl)piperidine-1-sulfonamide
CID 106084500
N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]methyl]propan-2-amine
CID 63241787
4-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]sulfonylbutanoic acid
CID 63241611
N-(3-methylcyclopentyl)-3-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide
CID 114551858

Frequently Asked Questions

What is the IUPAC name of N-[[1-(oxan-4-ylsulfonyl)piperidin-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(oxan-4-ylsulfonyl)piperidin-3-yl]methyl]propan-2-amine (CID 63241472) is N-[[1-(oxan-4-ylsulfonyl)piperidin-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(oxan-4-ylsulfonyl)piperidin-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(oxan-4-ylsulfonyl)piperidin-3-yl]methyl]propan-2-amine is CC(C)NCC1CCCN(S(=O)(=O)C2CCOCC2)C1.
What is the InChIKey of N-[[1-(oxan-4-ylsulfonyl)piperidin-3-yl]methyl]propan-2-amine?
The InChIKey is DQVPHSMCYWYAIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3S/c1-12(2)15-10-13-4-3-7-16(11-13)20(17,18)14-5-8-19-9-6-14/h12-15H,3-11H2,1-2H3.
What are the key properties of N-[[1-(oxan-4-ylsulfonyl)piperidin-3-yl]methyl]propan-2-amine?
N-[[1-(oxan-4-ylsulfonyl)piperidin-3-yl]methyl]propan-2-amine has a molecular weight of 304.46 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(oxan-4-ylsulfonyl)piperidin-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 63241472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).