N-(3,3-dimethyl-1-pyrrolidin-1-ylbutan-2-yl)ethanesulfonamide

C12H26N2O2S — CID 131940109

IUPACN-(3,3-dimethyl-1-pyrrolidin-1-ylbutan-2-yl)ethanesulfonamide
SMILESCCS(=O)(=O)NC(CN1CCCC1)C(C)(C)C
InChIInChI=1S/C12H26N2O2S/c1-5-17(15,16)13-11(12(2,3)4)10-14-8-6-7-9-14/h11,13H,5-10H2,1-4H3
InChIKeyLNFAQRQZKIYLCS-UHFFFAOYSA-N
MW262.42 g/mol
LogP1.44
Rot. Bonds5

About N-(3,3-dimethyl-1-pyrrolidin-1-ylbutan-2-yl)ethanesulfonamide

N-(3,3-dimethyl-1-pyrrolidin-1-ylbutan-2-yl)ethanesulfonamide (PubChem CID 131940109) has the molecular formula C12H26N2O2S and a molecular weight of 262.42 g/mol. Its IUPAC name is N-(3,3-dimethyl-1-pyrrolidin-1-ylbutan-2-yl)ethanesulfonamide.

Molecular Properties

Compound NameN-(3,3-dimethyl-1-pyrrolidin-1-ylbutan-2-yl)ethanesulfonamide
PubChem CID131940109
Molecular FormulaC12H26N2O2S
Molecular Weight262.42 g/mol
Exact Mass262.17
IUPAC NameN-(3,3-dimethyl-1-pyrrolidin-1-ylbutan-2-yl)ethanesulfonamide
SMILESCCS(=O)(=O)NC(CN1CCCC1)C(C)(C)C
InChIInChI=1S/C12H26N2O2S/c1-5-17(15,16)13-11(12(2,3)4)10-14-8-6-7-9-14/h11,13H,5-10H2,1-4H3
InChIKeyLNFAQRQZKIYLCS-UHFFFAOYSA-N
XLogP1.44
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethyl-1-pyrrolidin-1-ylbutan-2-yl)ethanesulfonamide?
The IUPAC name of N-(3,3-dimethyl-1-pyrrolidin-1-ylbutan-2-yl)ethanesulfonamide (CID 131940109) is N-(3,3-dimethyl-1-pyrrolidin-1-ylbutan-2-yl)ethanesulfonamide.
What is the SMILES notation for N-(3,3-dimethyl-1-pyrrolidin-1-ylbutan-2-yl)ethanesulfonamide?
The canonical SMILES for N-(3,3-dimethyl-1-pyrrolidin-1-ylbutan-2-yl)ethanesulfonamide is CCS(=O)(=O)NC(CN1CCCC1)C(C)(C)C.
What is the InChIKey of N-(3,3-dimethyl-1-pyrrolidin-1-ylbutan-2-yl)ethanesulfonamide?
The InChIKey is LNFAQRQZKIYLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2S/c1-5-17(15,16)13-11(12(2,3)4)10-14-8-6-7-9-14/h11,13H,5-10H2,1-4H3.
What are the key properties of N-(3,3-dimethyl-1-pyrrolidin-1-ylbutan-2-yl)ethanesulfonamide?
N-(3,3-dimethyl-1-pyrrolidin-1-ylbutan-2-yl)ethanesulfonamide has a molecular weight of 262.42 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethyl-1-pyrrolidin-1-ylbutan-2-yl)ethanesulfonamide is sourced from PubChem (CID 131940109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).