N-hexan-3-yl-1-piperidin-4-ylmethanesulfonamide

C12H26N2O2S — CID 62118973

IUPACN-hexan-3-yl-1-piperidin-4-ylmethanesulfonamide
SMILESCCCC(CC)NS(=O)(=O)CC1CCNCC1
InChIInChI=1S/C12H26N2O2S/c1-3-5-12(4-2)14-17(15,16)10-11-6-8-13-9-7-11/h11-14H,3-10H2,1-2H3
InChIKeyVCXARUNVNRXBGH-UHFFFAOYSA-N
MW262.42 g/mol
LogP1.48
Rot. Bonds7

About N-hexan-3-yl-1-piperidin-4-ylmethanesulfonamide

N-hexan-3-yl-1-piperidin-4-ylmethanesulfonamide (PubChem CID 62118973) has the molecular formula C12H26N2O2S and a molecular weight of 262.42 g/mol. Its IUPAC name is N-hexan-3-yl-1-piperidin-4-ylmethanesulfonamide.

Molecular Properties

Compound NameN-hexan-3-yl-1-piperidin-4-ylmethanesulfonamide
PubChem CID62118973
Molecular FormulaC12H26N2O2S
Molecular Weight262.42 g/mol
Exact Mass262.17
IUPAC NameN-hexan-3-yl-1-piperidin-4-ylmethanesulfonamide
SMILESCCCC(CC)NS(=O)(=O)CC1CCNCC1
InChIInChI=1S/C12H26N2O2S/c1-3-5-12(4-2)14-17(15,16)10-11-6-8-13-9-7-11/h11-14H,3-10H2,1-2H3
InChIKeyVCXARUNVNRXBGH-UHFFFAOYSA-N
XLogP1.48
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-hexan-3-yl-1-piperidin-4-ylmethanesulfonamide?
The IUPAC name of N-hexan-3-yl-1-piperidin-4-ylmethanesulfonamide (CID 62118973) is N-hexan-3-yl-1-piperidin-4-ylmethanesulfonamide.
What is the SMILES notation for N-hexan-3-yl-1-piperidin-4-ylmethanesulfonamide?
The canonical SMILES for N-hexan-3-yl-1-piperidin-4-ylmethanesulfonamide is CCCC(CC)NS(=O)(=O)CC1CCNCC1.
What is the InChIKey of N-hexan-3-yl-1-piperidin-4-ylmethanesulfonamide?
The InChIKey is VCXARUNVNRXBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2S/c1-3-5-12(4-2)14-17(15,16)10-11-6-8-13-9-7-11/h11-14H,3-10H2,1-2H3.
What are the key properties of N-hexan-3-yl-1-piperidin-4-ylmethanesulfonamide?
N-hexan-3-yl-1-piperidin-4-ylmethanesulfonamide has a molecular weight of 262.42 g/mol, XLogP of 1.48, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexan-3-yl-1-piperidin-4-ylmethanesulfonamide is sourced from PubChem (CID 62118973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).