4,4-dimethyl-2-(methylsulfonylmethyl)pentan-1-amine

C9H21NO2S — CID 117241821

IUPAC4,4-dimethyl-2-(methylsulfonylmethyl)pentan-1-amine
SMILESCC(C)(C)CC(CN)CS(C)(=O)=O
InChIInChI=1S/C9H21NO2S/c1-9(2,3)5-8(6-10)7-13(4,11)12/h8H,5-7,10H2,1-4H3
InChIKeyQKVLALZBCJRMEE-UHFFFAOYSA-N
MW207.34 g/mol
LogP1.04
Rot. Bonds4

About 4,4-dimethyl-2-(methylsulfonylmethyl)pentan-1-amine

4,4-dimethyl-2-(methylsulfonylmethyl)pentan-1-amine (PubChem CID 117241821) has the molecular formula C9H21NO2S and a molecular weight of 207.34 g/mol. Its IUPAC name is 4,4-dimethyl-2-(methylsulfonylmethyl)pentan-1-amine.

Molecular Properties

Compound Name4,4-dimethyl-2-(methylsulfonylmethyl)pentan-1-amine
PubChem CID117241821
Molecular FormulaC9H21NO2S
Molecular Weight207.34 g/mol
Exact Mass207.13
IUPAC Name4,4-dimethyl-2-(methylsulfonylmethyl)pentan-1-amine
SMILESCC(C)(C)CC(CN)CS(C)(=O)=O
InChIInChI=1S/C9H21NO2S/c1-9(2,3)5-8(6-10)7-13(4,11)12/h8H,5-7,10H2,1-4H3
InChIKeyQKVLALZBCJRMEE-UHFFFAOYSA-N
XLogP1.04
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-methanesulfonyl-4-methylpentan-2-amine hydrochloride
CID 137964301
(2S)-1-methanesulfonyl-4-methylpentan-2-amine hydrochloride
CID 137964336
4,4-Dimethyl-3-(4,4,5,5,5-pentafluoropentylsulfonyl)pentan-1-amine
CID 123204712
(s)-5-Methyl-1-(methylsulfonyl)hexan-3-amine
CID 129846824
(2S)-1-methanesulfonyl-4-methylpentan-2-amine
CID 94451359
3-Fluoro-5-methylsulfonyl-2-propan-2-ylpentan-1-amine
CID 107443820
5-Ethylsulfonyl-2-fluoro-2-methylpentan-1-amine
CID 112565180
2-Fluoro-3,3-dimethyl-2-(2-methylsulfonylethyl)butan-1-amine
CID 112566429
2-Tert-butyl-2-fluoro-5-methylsulfonylpentan-1-amine
CID 112566481
4-Methanesulfonyl-2,2-dimethylbutan-1-amine
CID 53621874
Potassium 6-(2-aminoethylsulfanyl)-5,5-dimethylhexane-1-sulfonate
CID 57945624
N-(3,3-dimethyl-2-propan-2-ylbutyl)propane-2-sulfonamide
CID 58124408

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-(methylsulfonylmethyl)pentan-1-amine?
The IUPAC name of 4,4-dimethyl-2-(methylsulfonylmethyl)pentan-1-amine (CID 117241821) is 4,4-dimethyl-2-(methylsulfonylmethyl)pentan-1-amine.
What is the SMILES notation for 4,4-dimethyl-2-(methylsulfonylmethyl)pentan-1-amine?
The canonical SMILES for 4,4-dimethyl-2-(methylsulfonylmethyl)pentan-1-amine is CC(C)(C)CC(CN)CS(C)(=O)=O.
What is the InChIKey of 4,4-dimethyl-2-(methylsulfonylmethyl)pentan-1-amine?
The InChIKey is QKVLALZBCJRMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2S/c1-9(2,3)5-8(6-10)7-13(4,11)12/h8H,5-7,10H2,1-4H3.
What are the key properties of 4,4-dimethyl-2-(methylsulfonylmethyl)pentan-1-amine?
4,4-dimethyl-2-(methylsulfonylmethyl)pentan-1-amine has a molecular weight of 207.34 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-(methylsulfonylmethyl)pentan-1-amine is sourced from PubChem (CID 117241821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).