N-ethyl-2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]ethanesulfonamide

C10H22N2O3S — CID 103952149

IUPACN-ethyl-2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]ethanesulfonamide
SMILESCCNS(=O)(=O)CCNC1CC(O)C1(C)C
InChIInChI=1S/C10H22N2O3S/c1-4-12-16(14,15)6-5-11-8-7-9(13)10(8,2)3/h8-9,11-13H,4-7H2,1-3H3
InChIKeyKGFKCHXTBVIZQG-UHFFFAOYSA-N
MW250.36 g/mol
LogP-0.33
Rot. Bonds6

About N-ethyl-2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]ethanesulfonamide

N-ethyl-2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]ethanesulfonamide (PubChem CID 103952149) has the molecular formula C10H22N2O3S and a molecular weight of 250.36 g/mol. Its IUPAC name is N-ethyl-2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]ethanesulfonamide.

Molecular Properties

Compound NameN-ethyl-2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]ethanesulfonamide
PubChem CID103952149
Molecular FormulaC10H22N2O3S
Molecular Weight250.36 g/mol
Exact Mass250.14
IUPAC NameN-ethyl-2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]ethanesulfonamide
SMILESCCNS(=O)(=O)CCNC1CC(O)C1(C)C
InChIInChI=1S/C10H22N2O3S/c1-4-12-16(14,15)6-5-11-8-7-9(13)10(8,2)3/h8-9,11-13H,4-7H2,1-3H3
InChIKeyKGFKCHXTBVIZQG-UHFFFAOYSA-N
XLogP-0.33
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 5-0.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(ethylamino)-2,2-dimethylcyclobutan-1-ol
CID 112633093
3-(2-methoxyethylamino)-2,2-dimethylcyclobutan-1-ol
CID 112633105
N,N-diethyl-3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]propanamide
CID 112633769
N-ethyl-2-[(4-methylcyclohexyl)amino]ethanesulfonamide
CID 115653668
N-[2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]ethyl]-2-methylpropanamide
CID 112633271
3-(2-cyclopentylethylamino)-2,2-dimethylcyclobutan-1-ol
CID 112633763
N-(3-hydroxy-2,2-dimethylcyclobutyl)-1-methylsulfonylmethanesulfonamide
CID 114631588
2,2-dimethyl-3-(3-pyrrolidin-1-ylpropylamino)cyclobutan-1-ol
CID 112633285
2-[(3-aminocyclopentyl)amino]-N-ethylethanesulfonamide
CID 106334534
2-[(5,5-dimethylthian-3-yl)amino]-N-ethylethanesulfonamide
CID 106334525
2,2-dimethyl-3-[4-[methyl(propan-2-yl)amino]butylamino]cyclobutan-1-ol
CID 112633951
3-[2-[butan-2-yl(methyl)amino]ethylamino]-2,2-dimethylcyclobutan-1-ol
CID 103951997

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]ethanesulfonamide?
The IUPAC name of N-ethyl-2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]ethanesulfonamide (CID 103952149) is N-ethyl-2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]ethanesulfonamide.
What is the SMILES notation for N-ethyl-2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]ethanesulfonamide?
The canonical SMILES for N-ethyl-2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]ethanesulfonamide is CCNS(=O)(=O)CCNC1CC(O)C1(C)C.
What is the InChIKey of N-ethyl-2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]ethanesulfonamide?
The InChIKey is KGFKCHXTBVIZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3S/c1-4-12-16(14,15)6-5-11-8-7-9(13)10(8,2)3/h8-9,11-13H,4-7H2,1-3H3.
What are the key properties of N-ethyl-2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]ethanesulfonamide?
N-ethyl-2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]ethanesulfonamide has a molecular weight of 250.36 g/mol, XLogP of -0.33, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]ethanesulfonamide is sourced from PubChem (CID 103952149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).