N-(cyclopropylmethyl)-N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]methanesulfonamide

C18H28N2O4S2 — CID 24732432

IUPACN-(cyclopropylmethyl)-N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]methanesulfonamide
SMILESCS(=O)(=O)c1ccccc1CN1CCC(N(CC2CC2)S(C)(=O)=O)CC1
InChIInChI=1S/C18H28N2O4S2/c1-25(21,22)18-6-4-3-5-16(18)14-19-11-9-17(10-12-19)20(26(2,23)24)13-15-7-8-15/h3-6,15,17H,7-14H2,1-2H3
InChIKeyHXIZOGOMEWRQFW-UHFFFAOYSA-N
MW400.57 g/mol
LogP1.73
Rot. Bonds7

About N-(cyclopropylmethyl)-N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]methanesulfonamide

N-(cyclopropylmethyl)-N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]methanesulfonamide (PubChem CID 24732432) has the molecular formula C18H28N2O4S2 and a molecular weight of 400.57 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]methanesulfonamide
PubChem CID24732432
Molecular FormulaC18H28N2O4S2
Molecular Weight400.57 g/mol
Exact Mass400.15
IUPAC NameN-(cyclopropylmethyl)-N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]methanesulfonamide
SMILESCS(=O)(=O)c1ccccc1CN1CCC(N(CC2CC2)S(C)(=O)=O)CC1
InChIInChI=1S/C18H28N2O4S2/c1-25(21,22)18-6-4-3-5-16(18)14-19-11-9-17(10-12-19)20(26(2,23)24)13-15-7-8-15/h3-6,15,17H,7-14H2,1-2H3
InChIKeyHXIZOGOMEWRQFW-UHFFFAOYSA-N
XLogP1.73
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.57
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]methanesulfonamide?
The IUPAC name of N-(cyclopropylmethyl)-N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]methanesulfonamide (CID 24732432) is N-(cyclopropylmethyl)-N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]methanesulfonamide is CS(=O)(=O)c1ccccc1CN1CCC(N(CC2CC2)S(C)(=O)=O)CC1.
What is the InChIKey of N-(cyclopropylmethyl)-N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]methanesulfonamide?
The InChIKey is HXIZOGOMEWRQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4S2/c1-25(21,22)18-6-4-3-5-16(18)14-19-11-9-17(10-12-19)20(26(2,23)24)13-15-7-8-15/h3-6,15,17H,7-14H2,1-2H3.
What are the key properties of N-(cyclopropylmethyl)-N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]methanesulfonamide?
N-(cyclopropylmethyl)-N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]methanesulfonamide has a molecular weight of 400.57 g/mol, XLogP of 1.73, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 24732432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).