N-[di(piperidin-1-yl)-lambda4-sulfanylidene]benzenesulfonamide

C16H25N3O2S2 — CID 2830961

IUPACN-[di(piperidin-1-yl)-lambda4-sulfanylidene]benzenesulfonamide
SMILESO=S(=O)(N=S(N1CCCCC1)N1CCCCC1)c1ccccc1
InChIInChI=1S/C16H25N3O2S2/c20-23(21,16-10-4-1-5-11-16)17-22(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1,4-5,10-11H,2-3,6-9,12-15H2
InChIKeyJSFVFAMVYZPWKH-UHFFFAOYSA-N
MW355.53 g/mol
LogP2.98
Rot. Bonds4

About N-[di(piperidin-1-yl)-lambda4-sulfanylidene]benzenesulfonamide

N-[di(piperidin-1-yl)-lambda4-sulfanylidene]benzenesulfonamide (PubChem CID 2830961) has the molecular formula C16H25N3O2S2 and a molecular weight of 355.53 g/mol. Its IUPAC name is N-[di(piperidin-1-yl)-lambda4-sulfanylidene]benzenesulfonamide.

Molecular Properties

Compound NameN-[di(piperidin-1-yl)-lambda4-sulfanylidene]benzenesulfonamide
PubChem CID2830961
Molecular FormulaC16H25N3O2S2
Molecular Weight355.53 g/mol
Exact Mass355.14
IUPAC NameN-[di(piperidin-1-yl)-lambda4-sulfanylidene]benzenesulfonamide
SMILESO=S(=O)(N=S(N1CCCCC1)N1CCCCC1)c1ccccc1
InChIInChI=1S/C16H25N3O2S2/c20-23(21,16-10-4-1-5-11-16)17-22(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1,4-5,10-11H,2-3,6-9,12-15H2
InChIKeyJSFVFAMVYZPWKH-UHFFFAOYSA-N
XLogP2.98
TPSA52.98 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.53
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[di(piperidin-1-yl)-lambda4-sulfanylidene]benzenesulfonamide?
The IUPAC name of N-[di(piperidin-1-yl)-lambda4-sulfanylidene]benzenesulfonamide (CID 2830961) is N-[di(piperidin-1-yl)-lambda4-sulfanylidene]benzenesulfonamide.
What is the SMILES notation for N-[di(piperidin-1-yl)-lambda4-sulfanylidene]benzenesulfonamide?
The canonical SMILES for N-[di(piperidin-1-yl)-lambda4-sulfanylidene]benzenesulfonamide is O=S(=O)(N=S(N1CCCCC1)N1CCCCC1)c1ccccc1.
What is the InChIKey of N-[di(piperidin-1-yl)-lambda4-sulfanylidene]benzenesulfonamide?
The InChIKey is JSFVFAMVYZPWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2S2/c20-23(21,16-10-4-1-5-11-16)17-22(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1,4-5,10-11H,2-3,6-9,12-15H2.
What are the key properties of N-[di(piperidin-1-yl)-lambda4-sulfanylidene]benzenesulfonamide?
N-[di(piperidin-1-yl)-lambda4-sulfanylidene]benzenesulfonamide has a molecular weight of 355.53 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[di(piperidin-1-yl)-lambda4-sulfanylidene]benzenesulfonamide is sourced from PubChem (CID 2830961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).