N-[1-(cyclopropylmethyl)-4-methylpiperidin-4-yl]-N-(2-oxopropyl)benzenesulfonamide

C19H28N2O3S — CID 91432978

IUPACN-[1-(cyclopropylmethyl)-4-methylpiperidin-4-yl]-N-(2-oxopropyl)benzenesulfonamide
SMILESCC(=O)CN(C1(C)CCN(CC2CC2)CC1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H28N2O3S/c1-16(22)14-21(25(23,24)18-6-4-3-5-7-18)19(2)10-12-20(13-11-19)15-17-8-9-17/h3-7,17H,8-15H2,1-2H3
InChIKeySGAXEPCHIOUTTP-UHFFFAOYSA-N
MW364.51 g/mol
LogP2.53
Rot. Bonds7

About N-[1-(cyclopropylmethyl)-4-methylpiperidin-4-yl]-N-(2-oxopropyl)benzenesulfonamide

N-[1-(cyclopropylmethyl)-4-methylpiperidin-4-yl]-N-(2-oxopropyl)benzenesulfonamide (PubChem CID 91432978) has the molecular formula C19H28N2O3S and a molecular weight of 364.51 g/mol. Its IUPAC name is N-[1-(cyclopropylmethyl)-4-methylpiperidin-4-yl]-N-(2-oxopropyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[1-(cyclopropylmethyl)-4-methylpiperidin-4-yl]-N-(2-oxopropyl)benzenesulfonamide
PubChem CID91432978
Molecular FormulaC19H28N2O3S
Molecular Weight364.51 g/mol
Exact Mass364.18
IUPAC NameN-[1-(cyclopropylmethyl)-4-methylpiperidin-4-yl]-N-(2-oxopropyl)benzenesulfonamide
SMILESCC(=O)CN(C1(C)CCN(CC2CC2)CC1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H28N2O3S/c1-16(22)14-21(25(23,24)18-6-4-3-5-7-18)19(2)10-12-20(13-11-19)15-17-8-9-17/h3-7,17H,8-15H2,1-2H3
InChIKeySGAXEPCHIOUTTP-UHFFFAOYSA-N
XLogP2.53
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.51
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopropylmethyl)-4-methylpiperidin-4-yl]-N-(2-oxopropyl)benzenesulfonamide?
The IUPAC name of N-[1-(cyclopropylmethyl)-4-methylpiperidin-4-yl]-N-(2-oxopropyl)benzenesulfonamide (CID 91432978) is N-[1-(cyclopropylmethyl)-4-methylpiperidin-4-yl]-N-(2-oxopropyl)benzenesulfonamide.
What is the SMILES notation for N-[1-(cyclopropylmethyl)-4-methylpiperidin-4-yl]-N-(2-oxopropyl)benzenesulfonamide?
The canonical SMILES for N-[1-(cyclopropylmethyl)-4-methylpiperidin-4-yl]-N-(2-oxopropyl)benzenesulfonamide is CC(=O)CN(C1(C)CCN(CC2CC2)CC1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-[1-(cyclopropylmethyl)-4-methylpiperidin-4-yl]-N-(2-oxopropyl)benzenesulfonamide?
The InChIKey is SGAXEPCHIOUTTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3S/c1-16(22)14-21(25(23,24)18-6-4-3-5-7-18)19(2)10-12-20(13-11-19)15-17-8-9-17/h3-7,17H,8-15H2,1-2H3.
What are the key properties of N-[1-(cyclopropylmethyl)-4-methylpiperidin-4-yl]-N-(2-oxopropyl)benzenesulfonamide?
N-[1-(cyclopropylmethyl)-4-methylpiperidin-4-yl]-N-(2-oxopropyl)benzenesulfonamide has a molecular weight of 364.51 g/mol, XLogP of 2.53, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopropylmethyl)-4-methylpiperidin-4-yl]-N-(2-oxopropyl)benzenesulfonamide is sourced from PubChem (CID 91432978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).