N-methyl-3-methylsulfonyl-N-(pyridin-2-ylmethyl)butan-2-amine

C12H20N2O2S — CID 56790019

IUPACN-methyl-3-methylsulfonyl-N-(pyridin-2-ylmethyl)butan-2-amine
SMILESCC(C(C)S(C)(=O)=O)N(C)Cc1ccccn1
InChIInChI=1S/C12H20N2O2S/c1-10(11(2)17(4,15)16)14(3)9-12-7-5-6-8-13-12/h5-8,10-11H,9H2,1-4H3
InChIKeyBWFFZQBDTGDNSV-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.34
Rot. Bonds5

About N-methyl-3-methylsulfonyl-N-(pyridin-2-ylmethyl)butan-2-amine

N-methyl-3-methylsulfonyl-N-(pyridin-2-ylmethyl)butan-2-amine (PubChem CID 56790019) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is N-methyl-3-methylsulfonyl-N-(pyridin-2-ylmethyl)butan-2-amine.

Molecular Properties

Compound NameN-methyl-3-methylsulfonyl-N-(pyridin-2-ylmethyl)butan-2-amine
PubChem CID56790019
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC NameN-methyl-3-methylsulfonyl-N-(pyridin-2-ylmethyl)butan-2-amine
SMILESCC(C(C)S(C)(=O)=O)N(C)Cc1ccccn1
InChIInChI=1S/C12H20N2O2S/c1-10(11(2)17(4,15)16)14(3)9-12-7-5-6-8-13-12/h5-8,10-11H,9H2,1-4H3
InChIKeyBWFFZQBDTGDNSV-UHFFFAOYSA-N
XLogP1.34
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,3-N,2-trimethyl-3-N-(pyridin-2-ylmethyl)butane-1,3-diamine
CID 79408815
N-(2-methylpropyl)-N-(pyridin-2-ylmethyl)methanesulfonamide
CID 59341012
N-ethyl-3-methylsulfonyl-1-pyridin-2-ylbutan-2-amine
CID 104520130
(1R,2R)-N,N'-dimethyl-1,2-diphenyl-N,N'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 177492952
ethane;N-methyl-N-(2-pyridin-2-ylethyl)propan-2-amine
CID 142585406
3-N-methyl-3-N-(pyridin-2-ylmethyl)butane-1,3-diamine
CID 60914164
2-N-ethyl-4-N-methyl-4-N-(pyridin-2-ylmethyl)pentane-2,4-diamine
CID 64706979
3-methyl-1-[methyl(pyridin-2-ylmethyl)amino]butan-2-one
CID 79396474
N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 174963433
ethane;N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 145471467
N-methyl-N-[(4-methylsulfonylphenyl)methyl]-1-pyridin-2-ylpropan-2-amine
CID 50980184
1-chloro-N-methyl-N-(pyridin-2-ylmethyl)methanesulfonamide
CID 63666756

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-methylsulfonyl-N-(pyridin-2-ylmethyl)butan-2-amine?
The IUPAC name of N-methyl-3-methylsulfonyl-N-(pyridin-2-ylmethyl)butan-2-amine (CID 56790019) is N-methyl-3-methylsulfonyl-N-(pyridin-2-ylmethyl)butan-2-amine.
What is the SMILES notation for N-methyl-3-methylsulfonyl-N-(pyridin-2-ylmethyl)butan-2-amine?
The canonical SMILES for N-methyl-3-methylsulfonyl-N-(pyridin-2-ylmethyl)butan-2-amine is CC(C(C)S(C)(=O)=O)N(C)Cc1ccccn1.
What is the InChIKey of N-methyl-3-methylsulfonyl-N-(pyridin-2-ylmethyl)butan-2-amine?
The InChIKey is BWFFZQBDTGDNSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-10(11(2)17(4,15)16)14(3)9-12-7-5-6-8-13-12/h5-8,10-11H,9H2,1-4H3.
What are the key properties of N-methyl-3-methylsulfonyl-N-(pyridin-2-ylmethyl)butan-2-amine?
N-methyl-3-methylsulfonyl-N-(pyridin-2-ylmethyl)butan-2-amine has a molecular weight of 256.37 g/mol, XLogP of 1.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-methylsulfonyl-N-(pyridin-2-ylmethyl)butan-2-amine is sourced from PubChem (CID 56790019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).