N-ethyl-4-ethylsulfonyl-2,2-dimethylbutan-1-amine

C10H23NO2S — CID 62724123

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

About N-ethyl-4-ethylsulfonyl-2,2-dimethylbutan-1-amine

N-ethyl-4-ethylsulfonyl-2,2-dimethylbutan-1-amine (PubChem CID 62724123) has the molecular formula C10H23NO2S and a molecular weight of 221.37 g/mol. Its IUPAC name is N-ethyl-4-ethylsulfonyl-2,2-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-ethyl-4-ethylsulfonyl-2,2-dimethylbutan-1-amine
PubChem CID62724123
Molecular FormulaC10H23NO2S
Molecular Weight221.37 g/mol
Exact Mass221.14
IUPAC NameN-ethyl-4-ethylsulfonyl-2,2-dimethylbutan-1-amine
SMILESCCNCC(C)(C)CCS(=O)(=O)CC
InChIInChI=1S/C10H23NO2S/c1-5-11-9-10(3,4)7-8-14(12,13)6-2/h11H,5-9H2,1-4H3
InChIKeyQRYMQKJHWNKCAC-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

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Related Compounds

N-ethyl-2,2-dimethyl-4-propylsulfonylbutan-1-amine
CID 106729808
4-ethylsulfonyl-2,2-dimethyl-N-propylbutan-1-amine
CID 62724939
4-ethylsulfonyl-N-(2-methoxyethyl)-2,2-dimethylbutan-1-amine
CID 62726162
4-chloro-N-(3-ethylsulfonylpropyl)-2,2-dimethylbutan-1-amine
CID 106140512
5-(2-ethylsulfonylethylamino)-4,4-dimethylpentanenitrile
CID 115653244
5-ethylsulfonyl-N,2,2-trimethylpentan-1-amine
CID 65097556
N-ethyl-3,3-dimethyl-5-methylsulfonylpentan-1-amine
CID 81023264
CID 24984722
CID 24984722
6-ethylsulfonyl-N,4,4-trimethylhexan-2-amine
CID 106732362
5-ethylsulfonyl-3,3-dimethylpentanoic acid
CID 106735284
N-ethyl-2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]butan-1-amine
CID 112591463
N-ethyl-2,2-dimethylhexane-1,6-diamine
CID 142012033

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-ethylsulfonyl-2,2-dimethylbutan-1-amine?
The IUPAC name of N-ethyl-4-ethylsulfonyl-2,2-dimethylbutan-1-amine (CID 62724123) is N-ethyl-4-ethylsulfonyl-2,2-dimethylbutan-1-amine.
What is the SMILES notation for N-ethyl-4-ethylsulfonyl-2,2-dimethylbutan-1-amine?
The canonical SMILES for N-ethyl-4-ethylsulfonyl-2,2-dimethylbutan-1-amine is CCNCC(C)(C)CCS(=O)(=O)CC.
What is the InChIKey of N-ethyl-4-ethylsulfonyl-2,2-dimethylbutan-1-amine?
The InChIKey is QRYMQKJHWNKCAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2S/c1-5-11-9-10(3,4)7-8-14(12,13)6-2/h11H,5-9H2,1-4H3.
What are the key properties of N-ethyl-4-ethylsulfonyl-2,2-dimethylbutan-1-amine?
N-ethyl-4-ethylsulfonyl-2,2-dimethylbutan-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-4-ethylsulfonyl-2,2-dimethylbutan-1-amine is sourced from PubChem (CID 62724123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).