N-[(2S)-1-[(3S)-3-methylpiperidin-1-yl]propan-2-yl]-1-(oxan-4-yl)methanesulfonamide

C15H30N2O3S — CID 129429834

IUPACN-[(2S)-1-[(3S)-3-methylpiperidin-1-yl]propan-2-yl]-1-(oxan-4-yl)methanesulfonamide
SMILESC[C@H]1CCCN(C[C@H](C)NS(=O)(=O)CC2CCOCC2)C1
InChIInChI=1S/C15H30N2O3S/c1-13-4-3-7-17(10-13)11-14(2)16-21(18,19)12-15-5-8-20-9-6-15/h13-16H,3-12H2,1-2H3/t13-,14-/m0/s1
InChIKeyOWEADKNOXVKGRK-KBPBESRZSA-N
MW318.48 g/mol
LogP1.45
Rot. Bonds6

About N-[(2S)-1-[(3S)-3-methylpiperidin-1-yl]propan-2-yl]-1-(oxan-4-yl)methanesulfonamide

N-[(2S)-1-[(3S)-3-methylpiperidin-1-yl]propan-2-yl]-1-(oxan-4-yl)methanesulfonamide (PubChem CID 129429834) has the molecular formula C15H30N2O3S and a molecular weight of 318.48 g/mol. Its IUPAC name is N-[(2S)-1-[(3S)-3-methylpiperidin-1-yl]propan-2-yl]-1-(oxan-4-yl)methanesulfonamide.

Molecular Properties

Compound NameN-[(2S)-1-[(3S)-3-methylpiperidin-1-yl]propan-2-yl]-1-(oxan-4-yl)methanesulfonamide
PubChem CID129429834
Molecular FormulaC15H30N2O3S
Molecular Weight318.48 g/mol
Exact Mass318.20
IUPAC NameN-[(2S)-1-[(3S)-3-methylpiperidin-1-yl]propan-2-yl]-1-(oxan-4-yl)methanesulfonamide
SMILESC[C@H]1CCCN(C[C@H](C)NS(=O)(=O)CC2CCOCC2)C1
InChIInChI=1S/C15H30N2O3S/c1-13-4-3-7-17(10-13)11-14(2)16-21(18,19)12-15-5-8-20-9-6-15/h13-16H,3-12H2,1-2H3/t13-,14-/m0/s1
InChIKeyOWEADKNOXVKGRK-KBPBESRZSA-N
XLogP1.45
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.48
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-1-[(3S)-3-methylpiperidin-1-yl]propan-2-yl]-1-(oxan-4-yl)methanesulfonamide with MolForge

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Related Compounds

N-[2-[(3S)-3-ethylpiperidin-1-yl]-2-methylpropyl]-1-(oxan-4-yl)methanesulfonamide
CID 97574855
3-Methyl-1-(oxan-4-ylsulfonyl)piperazine
CID 65448066
N-(oxan-4-ylmethyl)-N-piperidin-4-ylbutane-1-sulfonamide
CID 70653507
N-(oxan-4-ylmethyl)-N-piperidin-4-yl-2-sulfanylethanesulfonamide
CID 123583003
(2R,6S)-2,6-dimethyl-4-(oxan-4-ylmethylsulfonyl)-1-propan-2-ylpiperazine
CID 139301974
1-(Oxan-4-ylmethylsulfonyl)piperidin-4-amine
CID 148438099
N-(oxan-4-yl)-1-piperidin-3-ylmethanesulfonamide
CID 54972281
N-(oxan-4-yl)-1-piperidin-4-ylmethanesulfonamide
CID 54972282
N-methyl-N-(oxan-4-yl)-1-piperidin-3-ylmethanesulfonamide
CID 54972334
N-methyl-N-(oxan-4-yl)-1-piperidin-4-ylmethanesulfonamide
CID 54972335
3-Ethyl-4-(piperidin-3-ylmethylsulfonyl)morpholine
CID 54972434
3-Ethyl-4-(piperidin-4-ylmethylsulfonyl)morpholine
CID 54972435

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[(3S)-3-methylpiperidin-1-yl]propan-2-yl]-1-(oxan-4-yl)methanesulfonamide?
The IUPAC name of N-[(2S)-1-[(3S)-3-methylpiperidin-1-yl]propan-2-yl]-1-(oxan-4-yl)methanesulfonamide (CID 129429834) is N-[(2S)-1-[(3S)-3-methylpiperidin-1-yl]propan-2-yl]-1-(oxan-4-yl)methanesulfonamide.
What is the SMILES notation for N-[(2S)-1-[(3S)-3-methylpiperidin-1-yl]propan-2-yl]-1-(oxan-4-yl)methanesulfonamide?
The canonical SMILES for N-[(2S)-1-[(3S)-3-methylpiperidin-1-yl]propan-2-yl]-1-(oxan-4-yl)methanesulfonamide is C[C@H]1CCCN(C[C@H](C)NS(=O)(=O)CC2CCOCC2)C1.
What is the InChIKey of N-[(2S)-1-[(3S)-3-methylpiperidin-1-yl]propan-2-yl]-1-(oxan-4-yl)methanesulfonamide?
The InChIKey is OWEADKNOXVKGRK-KBPBESRZSA-N. The full InChI is InChI=1S/C15H30N2O3S/c1-13-4-3-7-17(10-13)11-14(2)16-21(18,19)12-15-5-8-20-9-6-15/h13-16H,3-12H2,1-2H3/t13-,14-/m0/s1.
What are the key properties of N-[(2S)-1-[(3S)-3-methylpiperidin-1-yl]propan-2-yl]-1-(oxan-4-yl)methanesulfonamide?
N-[(2S)-1-[(3S)-3-methylpiperidin-1-yl]propan-2-yl]-1-(oxan-4-yl)methanesulfonamide has a molecular weight of 318.48 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[(3S)-3-methylpiperidin-1-yl]propan-2-yl]-1-(oxan-4-yl)methanesulfonamide is sourced from PubChem (CID 129429834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).