N-ethyl-3,3-dimethyl-5-methylsulfonylpentan-1-amine

C10H23NO2S — CID 81023264

IUPACN-ethyl-3,3-dimethyl-5-methylsulfonylpentan-1-amine
SMILESCCNCCC(C)(C)CCS(C)(=O)=O
InChIInChI=1S/C10H23NO2S/c1-5-11-8-6-10(2,3)7-9-14(4,12)13/h11H,5-9H2,1-4H3
InChIKeyNXTZNJTULRCJHZ-UHFFFAOYSA-N
MW221.37 g/mol
LogP1.45
Rot. Bonds7

About N-ethyl-3,3-dimethyl-5-methylsulfonylpentan-1-amine

N-ethyl-3,3-dimethyl-5-methylsulfonylpentan-1-amine (PubChem CID 81023264) has the molecular formula C10H23NO2S and a molecular weight of 221.37 g/mol. Its IUPAC name is N-ethyl-3,3-dimethyl-5-methylsulfonylpentan-1-amine.

Molecular Properties

Compound NameN-ethyl-3,3-dimethyl-5-methylsulfonylpentan-1-amine
PubChem CID81023264
Molecular FormulaC10H23NO2S
Molecular Weight221.37 g/mol
Exact Mass221.14
IUPAC NameN-ethyl-3,3-dimethyl-5-methylsulfonylpentan-1-amine
SMILESCCNCCC(C)(C)CCS(C)(=O)=O
InChIInChI=1S/C10H23NO2S/c1-5-11-8-6-10(2,3)7-9-14(4,12)13/h11H,5-9H2,1-4H3
InChIKeyNXTZNJTULRCJHZ-UHFFFAOYSA-N
XLogP1.45
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-(2-methylsulfonylethylsulfanyl)ethanamine
CID 63658880
6-(ethylamino)-4,4-dimethylhexanoic acid
CID 65287382
N,2,2-triethyl-4-methylsulfonylbutan-1-amine
CID 62723454
N-ethyl-4-ethylsulfonyl-2,2-dimethylbutan-1-amine
CID 62724123
N-ethyl-2-(3-methylsulfonylpropoxy)ethanamine
CID 63191293
6-ethylsulfonyl-3,3-dimethyl-N-propylhexan-1-amine
CID 81022072
N-ethyl-6-methoxy-3,3,6-trimethylheptan-1-amine
CID 103019881
2-methyl-2-(2-methylsulfonylethyl)-N-propylpentan-1-amine
CID 62723813
2-(2,2-dimethyl-4-methylsulfonylbutyl)-1-ethyl-3-propylguanidine;hydroiodide
CID 111634795
3,3-dimethyl-N-(2-methylpropyl)-5-propan-2-ylsulfonylpentan-1-amine
CID 106735479
N-ethyl-2,2-dimethyl-4-propylsulfonylbutan-1-amine
CID 106729808
3-methoxy-3-methyl-N-(2-methylsulfonylethyl)butan-1-amine
CID 103033177

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,3-dimethyl-5-methylsulfonylpentan-1-amine?
The IUPAC name of N-ethyl-3,3-dimethyl-5-methylsulfonylpentan-1-amine (CID 81023264) is N-ethyl-3,3-dimethyl-5-methylsulfonylpentan-1-amine.
What is the SMILES notation for N-ethyl-3,3-dimethyl-5-methylsulfonylpentan-1-amine?
The canonical SMILES for N-ethyl-3,3-dimethyl-5-methylsulfonylpentan-1-amine is CCNCCC(C)(C)CCS(C)(=O)=O.
What is the InChIKey of N-ethyl-3,3-dimethyl-5-methylsulfonylpentan-1-amine?
The InChIKey is NXTZNJTULRCJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2S/c1-5-11-8-6-10(2,3)7-9-14(4,12)13/h11H,5-9H2,1-4H3.
What are the key properties of N-ethyl-3,3-dimethyl-5-methylsulfonylpentan-1-amine?
N-ethyl-3,3-dimethyl-5-methylsulfonylpentan-1-amine has a molecular weight of 221.37 g/mol, XLogP of 1.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,3-dimethyl-5-methylsulfonylpentan-1-amine is sourced from PubChem (CID 81023264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).