3-tert-butyl-N-(cyclopropylmethyl)-N-piperidin-4-ylbenzenesulfonamide

C19H30N2O2S — CID 70645897

IUPAC3-tert-butyl-N-(cyclopropylmethyl)-N-piperidin-4-ylbenzenesulfonamide
SMILESCC(C)(C)c1cccc(S(=O)(=O)N(CC2CC2)C2CCNCC2)c1
InChIInChI=1S/C19H30N2O2S/c1-19(2,3)16-5-4-6-18(13-16)24(22,23)21(14-15-7-8-15)17-9-11-20-12-10-17/h4-6,13,15,17,20H,7-12,14H2,1-3H3
InChIKeyDALWXZNPLAFHFZ-UHFFFAOYSA-N
MW350.53 g/mol
LogP3.14
Rot. Bonds5

About 3-tert-butyl-N-(cyclopropylmethyl)-N-piperidin-4-ylbenzenesulfonamide

3-tert-butyl-N-(cyclopropylmethyl)-N-piperidin-4-ylbenzenesulfonamide (PubChem CID 70645897) has the molecular formula C19H30N2O2S and a molecular weight of 350.53 g/mol. Its IUPAC name is 3-tert-butyl-N-(cyclopropylmethyl)-N-piperidin-4-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-tert-butyl-N-(cyclopropylmethyl)-N-piperidin-4-ylbenzenesulfonamide
PubChem CID70645897
Molecular FormulaC19H30N2O2S
Molecular Weight350.53 g/mol
Exact Mass350.20
IUPAC Name3-tert-butyl-N-(cyclopropylmethyl)-N-piperidin-4-ylbenzenesulfonamide
SMILESCC(C)(C)c1cccc(S(=O)(=O)N(CC2CC2)C2CCNCC2)c1
InChIInChI=1S/C19H30N2O2S/c1-19(2,3)16-5-4-6-18(13-16)24(22,23)21(14-15-7-8-15)17-9-11-20-12-10-17/h4-6,13,15,17,20H,7-12,14H2,1-3H3
InChIKeyDALWXZNPLAFHFZ-UHFFFAOYSA-N
XLogP3.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.53
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-(cyclopropylmethyl)-N-piperidin-4-ylbenzenesulfonamide?
The IUPAC name of 3-tert-butyl-N-(cyclopropylmethyl)-N-piperidin-4-ylbenzenesulfonamide (CID 70645897) is 3-tert-butyl-N-(cyclopropylmethyl)-N-piperidin-4-ylbenzenesulfonamide.
What is the SMILES notation for 3-tert-butyl-N-(cyclopropylmethyl)-N-piperidin-4-ylbenzenesulfonamide?
The canonical SMILES for 3-tert-butyl-N-(cyclopropylmethyl)-N-piperidin-4-ylbenzenesulfonamide is CC(C)(C)c1cccc(S(=O)(=O)N(CC2CC2)C2CCNCC2)c1.
What is the InChIKey of 3-tert-butyl-N-(cyclopropylmethyl)-N-piperidin-4-ylbenzenesulfonamide?
The InChIKey is DALWXZNPLAFHFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2S/c1-19(2,3)16-5-4-6-18(13-16)24(22,23)21(14-15-7-8-15)17-9-11-20-12-10-17/h4-6,13,15,17,20H,7-12,14H2,1-3H3.
What are the key properties of 3-tert-butyl-N-(cyclopropylmethyl)-N-piperidin-4-ylbenzenesulfonamide?
3-tert-butyl-N-(cyclopropylmethyl)-N-piperidin-4-ylbenzenesulfonamide has a molecular weight of 350.53 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-(cyclopropylmethyl)-N-piperidin-4-ylbenzenesulfonamide is sourced from PubChem (CID 70645897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).