N-cyclopropyl-2-methylsulfonyl-N-(piperidin-2-ylmethyl)aniline

C16H24N2O2S — CID 106641104

IUPACN-cyclopropyl-2-methylsulfonyl-N-(piperidin-2-ylmethyl)aniline
SMILESCS(=O)(=O)c1ccccc1N(CC1CCCCN1)C1CC1
InChIInChI=1S/C16H24N2O2S/c1-21(19,20)16-8-3-2-7-15(16)18(14-9-10-14)12-13-6-4-5-11-17-13/h2-3,7-8,13-14,17H,4-6,9-12H2,1H3
InChIKeyGEPURZVAEVLFRN-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.20
Rot. Bonds5

About N-cyclopropyl-2-methylsulfonyl-N-(piperidin-2-ylmethyl)aniline

N-cyclopropyl-2-methylsulfonyl-N-(piperidin-2-ylmethyl)aniline (PubChem CID 106641104) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is N-cyclopropyl-2-methylsulfonyl-N-(piperidin-2-ylmethyl)aniline.

Molecular Properties

Compound NameN-cyclopropyl-2-methylsulfonyl-N-(piperidin-2-ylmethyl)aniline
PubChem CID106641104
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC NameN-cyclopropyl-2-methylsulfonyl-N-(piperidin-2-ylmethyl)aniline
SMILESCS(=O)(=O)c1ccccc1N(CC1CCCCN1)C1CC1
InChIInChI=1S/C16H24N2O2S/c1-21(19,20)16-8-3-2-7-15(16)18(14-9-10-14)12-13-6-4-5-11-17-13/h2-3,7-8,13-14,17H,4-6,9-12H2,1H3
InChIKeyGEPURZVAEVLFRN-UHFFFAOYSA-N
XLogP2.20
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-3-methylsulfonyl-N-(piperidin-2-ylmethyl)pyridin-2-amine
CID 106641204
N-methyl-3-methylsulfonyl-N-(piperidin-2-ylmethyl)pyridin-2-amine
CID 106642245
N'-cyclohexyl-N'-(2-methylsulfonylphenyl)propane-1,3-diamine
CID 60870635
N-(3-chloropropyl)-N-cyclobutyl-2-methylsulfonylaniline
CID 102871484
2-chloro-N-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 106630491
N-cyclopropyl-2-iodo-4-nitro-N-(piperidin-2-ylmethyl)aniline
CID 106640984
N-cyclopropyl-2-methyl-5-nitro-N-(piperidin-2-ylmethyl)aniline
CID 106641222
N-cyclopropyl-3-fluoro-2-nitro-N-(pyrrolidin-2-ylmethyl)aniline
CID 106600163
4-chloro-2-[cyclopropyl(piperidin-2-ylmethyl)amino]benzonitrile
CID 106641184
2-[(2-methoxy-3-methylsulfonylphenyl)methyl]piperidine
CID 117455719
N-cyclopropyl-N-(piperidin-2-ylmethyl)-1,2,4-benzotriazin-3-amine
CID 106641209
N-cyclopropyl-5-fluoro-2-nitro-N-(piperidin-2-ylmethyl)aniline
CID 106641136

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-methylsulfonyl-N-(piperidin-2-ylmethyl)aniline?
The IUPAC name of N-cyclopropyl-2-methylsulfonyl-N-(piperidin-2-ylmethyl)aniline (CID 106641104) is N-cyclopropyl-2-methylsulfonyl-N-(piperidin-2-ylmethyl)aniline.
What is the SMILES notation for N-cyclopropyl-2-methylsulfonyl-N-(piperidin-2-ylmethyl)aniline?
The canonical SMILES for N-cyclopropyl-2-methylsulfonyl-N-(piperidin-2-ylmethyl)aniline is CS(=O)(=O)c1ccccc1N(CC1CCCCN1)C1CC1.
What is the InChIKey of N-cyclopropyl-2-methylsulfonyl-N-(piperidin-2-ylmethyl)aniline?
The InChIKey is GEPURZVAEVLFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-21(19,20)16-8-3-2-7-15(16)18(14-9-10-14)12-13-6-4-5-11-17-13/h2-3,7-8,13-14,17H,4-6,9-12H2,1H3.
What are the key properties of N-cyclopropyl-2-methylsulfonyl-N-(piperidin-2-ylmethyl)aniline?
N-cyclopropyl-2-methylsulfonyl-N-(piperidin-2-ylmethyl)aniline has a molecular weight of 308.45 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-methylsulfonyl-N-(piperidin-2-ylmethyl)aniline is sourced from PubChem (CID 106641104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).