N,2,2-trimethyl-5-methylsulfonylpentan-1-amine

C9H21NO2S — CID 63196020

IUPACN,2,2-trimethyl-5-methylsulfonylpentan-1-amine
SMILESCNCC(C)(C)CCCS(C)(=O)=O
InChIInChI=1S/C9H21NO2S/c1-9(2,8-10-3)6-5-7-13(4,11)12/h10H,5-8H2,1-4H3
InChIKeySCEGYFPQXHEYLM-UHFFFAOYSA-N
MW207.34 g/mol
LogP1.06
Rot. Bonds6

About N,2,2-trimethyl-5-methylsulfonylpentan-1-amine

N,2,2-trimethyl-5-methylsulfonylpentan-1-amine (PubChem CID 63196020) has the molecular formula C9H21NO2S and a molecular weight of 207.34 g/mol. Its IUPAC name is N,2,2-trimethyl-5-methylsulfonylpentan-1-amine.

Molecular Properties

Compound NameN,2,2-trimethyl-5-methylsulfonylpentan-1-amine
PubChem CID63196020
Molecular FormulaC9H21NO2S
Molecular Weight207.34 g/mol
Exact Mass207.13
IUPAC NameN,2,2-trimethyl-5-methylsulfonylpentan-1-amine
SMILESCNCC(C)(C)CCCS(C)(=O)=O
InChIInChI=1S/C9H21NO2S/c1-9(2,8-10-3)6-5-7-13(4,11)12/h10H,5-8H2,1-4H3
InChIKeySCEGYFPQXHEYLM-UHFFFAOYSA-N
XLogP1.06
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(2R)-1,1-dioxothiolan-2-yl]methyl]-2,2-diethylbutan-1-amine
CID 97262516
4-(Methanesulfonylmethyl)-4-methylpiperidine
CID 137935312
4-methyl-N-(2-methylsulfonylethyl)pentan-1-amine
CID 20811846
2,4,4-trimethyl-N-(2-methylsulfonylethyl)pentan-2-amine
CID 60975136
N-methyl-5-methylsulfonylpentan-1-amine
CID 63195599
2-ethyl-2-methyl-N-(3-methylsulfonylbutyl)hexan-1-amine
CID 88587544
2,2,3,4,4-Pentamethyl-3-methyl-5-methylsulfonylpentan-1-amine
CID 90961884
2,4,4-Trimethyl-5-(methylamino)pentane-2-sulfonic acid
CID 118012213
1-(3-ethyl-1,1-dioxothietan-3-yl)-N-methylmethanamine
CID 123225030
Trimethyl-(2,4,4-trimethyl-5-methylsulfonylpentyl)azanium
CID 132221855
N-butyl-4,4-dimethyl-N-(2-methylsulfonylethyl)pentan-1-amine
CID 132262429
N-(3,3-dimethylbutyl)-3,3-dimethyl-5-methylsulfonylpentan-1-amine
CID 134184101

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-5-methylsulfonylpentan-1-amine?
The IUPAC name of N,2,2-trimethyl-5-methylsulfonylpentan-1-amine (CID 63196020) is N,2,2-trimethyl-5-methylsulfonylpentan-1-amine.
What is the SMILES notation for N,2,2-trimethyl-5-methylsulfonylpentan-1-amine?
The canonical SMILES for N,2,2-trimethyl-5-methylsulfonylpentan-1-amine is CNCC(C)(C)CCCS(C)(=O)=O.
What is the InChIKey of N,2,2-trimethyl-5-methylsulfonylpentan-1-amine?
The InChIKey is SCEGYFPQXHEYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2S/c1-9(2,8-10-3)6-5-7-13(4,11)12/h10H,5-8H2,1-4H3.
What are the key properties of N,2,2-trimethyl-5-methylsulfonylpentan-1-amine?
N,2,2-trimethyl-5-methylsulfonylpentan-1-amine has a molecular weight of 207.34 g/mol, XLogP of 1.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-5-methylsulfonylpentan-1-amine is sourced from PubChem (CID 63196020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).