(2S)-N-cycloheptyl-2-methylpiperidine-1-sulfonamide

C13H26N2O2S — CID 35295064

IUPAC(2S)-N-cycloheptyl-2-methylpiperidine-1-sulfonamide
SMILESC[C@H]1CCCCN1S(=O)(=O)NC1CCCCCC1
InChIInChI=1S/C13H26N2O2S/c1-12-8-6-7-11-15(12)18(16,17)14-13-9-4-2-3-5-10-13/h12-14H,2-11H2,1H3/t12-/m0/s1
InChIKeySIYFUIHQQNYWHG-LBPRGKRZSA-N
MW274.43 g/mol
LogP2.42
Rot. Bonds3

About (2S)-N-cycloheptyl-2-methylpiperidine-1-sulfonamide

(2S)-N-cycloheptyl-2-methylpiperidine-1-sulfonamide (PubChem CID 35295064) has the molecular formula C13H26N2O2S and a molecular weight of 274.43 g/mol. Its IUPAC name is (2S)-N-cycloheptyl-2-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name(2S)-N-cycloheptyl-2-methylpiperidine-1-sulfonamide
PubChem CID35295064
Molecular FormulaC13H26N2O2S
Molecular Weight274.43 g/mol
Exact Mass274.17
IUPAC Name(2S)-N-cycloheptyl-2-methylpiperidine-1-sulfonamide
SMILESC[C@H]1CCCCN1S(=O)(=O)NC1CCCCCC1
InChIInChI=1S/C13H26N2O2S/c1-12-8-6-7-11-15(12)18(16,17)14-13-9-4-2-3-5-10-13/h12-14H,2-11H2,1H3/t12-/m0/s1
InChIKeySIYFUIHQQNYWHG-LBPRGKRZSA-N
XLogP2.42
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-cycloheptyl-2-methylpiperidine-1-sulfonamide?
The IUPAC name of (2S)-N-cycloheptyl-2-methylpiperidine-1-sulfonamide (CID 35295064) is (2S)-N-cycloheptyl-2-methylpiperidine-1-sulfonamide.
What is the SMILES notation for (2S)-N-cycloheptyl-2-methylpiperidine-1-sulfonamide?
The canonical SMILES for (2S)-N-cycloheptyl-2-methylpiperidine-1-sulfonamide is C[C@H]1CCCCN1S(=O)(=O)NC1CCCCCC1.
What is the InChIKey of (2S)-N-cycloheptyl-2-methylpiperidine-1-sulfonamide?
The InChIKey is SIYFUIHQQNYWHG-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H26N2O2S/c1-12-8-6-7-11-15(12)18(16,17)14-13-9-4-2-3-5-10-13/h12-14H,2-11H2,1H3/t12-/m0/s1.
What are the key properties of (2S)-N-cycloheptyl-2-methylpiperidine-1-sulfonamide?
(2S)-N-cycloheptyl-2-methylpiperidine-1-sulfonamide has a molecular weight of 274.43 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cycloheptyl-2-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 35295064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).