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

C12H26N2O2S — CID 164643209

IUPACN-[(2R)-3,3-dimethyl-1-pyrrolidin-1-ylbutan-2-yl]ethanesulfonamide
SMILESCCS(=O)(=O)N[C@@H](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/t11-/m0/s1
InChIKeyLNFAQRQZKIYLCS-NSHDSACASA-N
MW262.42 g/mol
LogP1.44
Rot. Bonds5

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

N-[(2R)-3,3-dimethyl-1-pyrrolidin-1-ylbutan-2-yl]ethanesulfonamide (PubChem CID 164643209) has the molecular formula C12H26N2O2S and a molecular weight of 262.42 g/mol. Its IUPAC name is N-[(2R)-3,3-dimethyl-1-pyrrolidin-1-ylbutan-2-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[(2R)-3,3-dimethyl-1-pyrrolidin-1-ylbutan-2-yl]ethanesulfonamide
PubChem CID164643209
Molecular FormulaC12H26N2O2S
Molecular Weight262.42 g/mol
Exact Mass262.17
IUPAC NameN-[(2R)-3,3-dimethyl-1-pyrrolidin-1-ylbutan-2-yl]ethanesulfonamide
SMILESCCS(=O)(=O)N[C@@H](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/t11-/m0/s1
InChIKeyLNFAQRQZKIYLCS-NSHDSACASA-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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Related Compounds

N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]propane-1-sulfonamide
CID 91922807
4-[(Dimethylamino)methyl]-1-methanesulfonylpyrrolidin-3-amine
CID 90488126
N-[2-[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]ethyl]ethanesulfonamide
CID 56791953
3,3-dimethyl-N-(1-propan-2-ylazetidin-3-yl)butane-1-sulfonamide
CID 86818152
N-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-3,3-dimethylbutane-1-sulfonamide
CID 97574702
N-[(2S)-2-(3,3-diethylpyrrolidin-1-yl)propyl]propane-1-sulfonamide
CID 164641818
1-Propan-2-ylsulfonylpyrrolidin-3-amine
CID 21090429
N-(1-methylpyrrolidin-3-yl)propane-2-sulfonamide
CID 23563421
N-[(2S)-2-amino-3,3-dimethylbutyl]-N-methylethanesulfonamide
CID 57846654
N-(1-propan-2-ylpyrrolidin-3-yl)propane-2-sulfonamide
CID 58032238
(2S)-1-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylbutan-2-amine
CID 58799617
(2S)-1-(1,1-dioxothiazinan-2-yl)-3,3-dimethylbutan-2-amine
CID 58799657

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3,3-dimethyl-1-pyrrolidin-1-ylbutan-2-yl]ethanesulfonamide?
The IUPAC name of N-[(2R)-3,3-dimethyl-1-pyrrolidin-1-ylbutan-2-yl]ethanesulfonamide (CID 164643209) is N-[(2R)-3,3-dimethyl-1-pyrrolidin-1-ylbutan-2-yl]ethanesulfonamide.
What is the SMILES notation for N-[(2R)-3,3-dimethyl-1-pyrrolidin-1-ylbutan-2-yl]ethanesulfonamide?
The canonical SMILES for N-[(2R)-3,3-dimethyl-1-pyrrolidin-1-ylbutan-2-yl]ethanesulfonamide is CCS(=O)(=O)N[C@@H](CN1CCCC1)C(C)(C)C.
What is the InChIKey of N-[(2R)-3,3-dimethyl-1-pyrrolidin-1-ylbutan-2-yl]ethanesulfonamide?
The InChIKey is LNFAQRQZKIYLCS-NSHDSACASA-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/t11-/m0/s1.
What are the key properties of N-[(2R)-3,3-dimethyl-1-pyrrolidin-1-ylbutan-2-yl]ethanesulfonamide?
N-[(2R)-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-[(2R)-3,3-dimethyl-1-pyrrolidin-1-ylbutan-2-yl]ethanesulfonamide is sourced from PubChem (CID 164643209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).