N,3,3-trimethyl-1-(2-methylsulfonylethylsulfonyl)butan-2-amine

C10H23NO4S2 — CID 64645611

IUPACN,3,3-trimethyl-1-(2-methylsulfonylethylsulfonyl)butan-2-amine
SMILESCNC(CS(=O)(=O)CCS(C)(=O)=O)C(C)(C)C
InChIInChI=1S/C10H23NO4S2/c1-10(2,3)9(11-4)8-17(14,15)7-6-16(5,12)13/h9,11H,6-8H2,1-5H3
InChIKeyCRTYFELGFMRSMO-UHFFFAOYSA-N
MW285.43 g/mol
LogP0.08
Rot. Bonds6

About N,3,3-trimethyl-1-(2-methylsulfonylethylsulfonyl)butan-2-amine

N,3,3-trimethyl-1-(2-methylsulfonylethylsulfonyl)butan-2-amine (PubChem CID 64645611) has the molecular formula C10H23NO4S2 and a molecular weight of 285.43 g/mol. Its IUPAC name is N,3,3-trimethyl-1-(2-methylsulfonylethylsulfonyl)butan-2-amine.

Molecular Properties

Compound NameN,3,3-trimethyl-1-(2-methylsulfonylethylsulfonyl)butan-2-amine
PubChem CID64645611
Molecular FormulaC10H23NO4S2
Molecular Weight285.43 g/mol
Exact Mass285.11
IUPAC NameN,3,3-trimethyl-1-(2-methylsulfonylethylsulfonyl)butan-2-amine
SMILESCNC(CS(=O)(=O)CCS(C)(=O)=O)C(C)(C)C
InChIInChI=1S/C10H23NO4S2/c1-10(2,3)9(11-4)8-17(14,15)7-6-16(5,12)13/h9,11H,6-8H2,1-5H3
InChIKeyCRTYFELGFMRSMO-UHFFFAOYSA-N
XLogP0.08
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,3,3-trimethyl-1-pentylsulfonylbutan-2-amine
CID 107758506
tert-butyl 2-[3,3-dimethyl-2-(methylamino)butyl]sulfonylacetate
CID 116687671
3-methoxy-1-(3-methoxypropylsulfonyl)-N,3-dimethylbutan-2-amine
CID 114228834
N-ethyl-4,4-dimethyl-1-methylsulfonylpentan-3-amine
CID 62599846
N-[2-(2-methylpropylsulfonyl)ethyl]-2-methylsulfonylethanamine
CID 106512902
2-methyl-3-(2-methylsulfonylethylsulfonyl)propanoic acid
CID 63666927
1-(4-bromophenyl)sulfonyl-N,3,3-trimethylbutan-2-amine
CID 64645057
1-(4-methoxyphenyl)-N-methyl-2-(2-methylsulfonylethylsulfonyl)ethanamine
CID 64646603
4-ethyl-4-methoxy-N-methyl-1-methylsulfonylhexan-3-amine
CID 116760804
5-methoxy-N,5-dimethyl-1-methylsulfonylheptan-4-amine
CID 116757678
3-methyl-1-methylsulfonylbutane
CID 20712453
N-tert-butyl-2-methylsulfonylethanesulfonamide
CID 64591010

Frequently Asked Questions

What is the IUPAC name of N,3,3-trimethyl-1-(2-methylsulfonylethylsulfonyl)butan-2-amine?
The IUPAC name of N,3,3-trimethyl-1-(2-methylsulfonylethylsulfonyl)butan-2-amine (CID 64645611) is N,3,3-trimethyl-1-(2-methylsulfonylethylsulfonyl)butan-2-amine.
What is the SMILES notation for N,3,3-trimethyl-1-(2-methylsulfonylethylsulfonyl)butan-2-amine?
The canonical SMILES for N,3,3-trimethyl-1-(2-methylsulfonylethylsulfonyl)butan-2-amine is CNC(CS(=O)(=O)CCS(C)(=O)=O)C(C)(C)C.
What is the InChIKey of N,3,3-trimethyl-1-(2-methylsulfonylethylsulfonyl)butan-2-amine?
The InChIKey is CRTYFELGFMRSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO4S2/c1-10(2,3)9(11-4)8-17(14,15)7-6-16(5,12)13/h9,11H,6-8H2,1-5H3.
What are the key properties of N,3,3-trimethyl-1-(2-methylsulfonylethylsulfonyl)butan-2-amine?
N,3,3-trimethyl-1-(2-methylsulfonylethylsulfonyl)butan-2-amine has a molecular weight of 285.43 g/mol, XLogP of 0.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,3-trimethyl-1-(2-methylsulfonylethylsulfonyl)butan-2-amine is sourced from PubChem (CID 64645611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).