N-[2-(3-methylpentan-2-ylamino)phenyl]methanesulfonamide

C13H22N2O2S — CID 43743986

IUPACN-[2-(3-methylpentan-2-ylamino)phenyl]methanesulfonamide
SMILESCCC(C)C(C)Nc1ccccc1NS(C)(=O)=O
InChIInChI=1S/C13H22N2O2S/c1-5-10(2)11(3)14-12-8-6-7-9-13(12)15-18(4,16)17/h6-11,14-15H,5H2,1-4H3
InChIKeyNBXMDZQXNUAGTL-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.90
Rot. Bonds6

About N-[2-(3-methylpentan-2-ylamino)phenyl]methanesulfonamide

N-[2-(3-methylpentan-2-ylamino)phenyl]methanesulfonamide (PubChem CID 43743986) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is N-[2-(3-methylpentan-2-ylamino)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(3-methylpentan-2-ylamino)phenyl]methanesulfonamide
PubChem CID43743986
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC NameN-[2-(3-methylpentan-2-ylamino)phenyl]methanesulfonamide
SMILESCCC(C)C(C)Nc1ccccc1NS(C)(=O)=O
InChIInChI=1S/C13H22N2O2S/c1-5-10(2)11(3)14-12-8-6-7-9-13(12)15-18(4,16)17/h6-11,14-15H,5H2,1-4H3
InChIKeyNBXMDZQXNUAGTL-UHFFFAOYSA-N
XLogP2.90
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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[2-[[(2S,3R)-3-methylpentan-2-yl]amino]phenyl]methanol
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N-[2-[1-(furan-2-yl)propan-2-ylamino]phenyl]methanesulfonamide
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CID 43744105
N-[2-(bromomethyl)phenyl]methanesulfonamide
CID 114296091
N-[(2R)-butan-2-yl]-2-(methanesulfonamido)benzamide
CID 967070
N-(3-methylpentan-2-yl)-4-methylsulfonylaniline
CID 43201165
N-[2-(methanesulfonamido)phenyl]-2-methylpropanamide
CID 47169208
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CID 102848997

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylpentan-2-ylamino)phenyl]methanesulfonamide?
The IUPAC name of N-[2-(3-methylpentan-2-ylamino)phenyl]methanesulfonamide (CID 43743986) is N-[2-(3-methylpentan-2-ylamino)phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-(3-methylpentan-2-ylamino)phenyl]methanesulfonamide?
The canonical SMILES for N-[2-(3-methylpentan-2-ylamino)phenyl]methanesulfonamide is CCC(C)C(C)Nc1ccccc1NS(C)(=O)=O.
What is the InChIKey of N-[2-(3-methylpentan-2-ylamino)phenyl]methanesulfonamide?
The InChIKey is NBXMDZQXNUAGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-5-10(2)11(3)14-12-8-6-7-9-13(12)15-18(4,16)17/h6-11,14-15H,5H2,1-4H3.
What are the key properties of N-[2-(3-methylpentan-2-ylamino)phenyl]methanesulfonamide?
N-[2-(3-methylpentan-2-ylamino)phenyl]methanesulfonamide has a molecular weight of 270.40 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylpentan-2-ylamino)phenyl]methanesulfonamide is sourced from PubChem (CID 43743986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).