N-(3-methyl-2-propan-2-ylbutyl)pyrrolidine-1-sulfonamide

C12H26N2O2S — CID 102912990

IUPACN-(3-methyl-2-propan-2-ylbutyl)pyrrolidine-1-sulfonamide
SMILESCC(C)C(CNS(=O)(=O)N1CCCC1)C(C)C
InChIInChI=1S/C12H26N2O2S/c1-10(2)12(11(3)4)9-13-17(15,16)14-7-5-6-8-14/h10-13H,5-9H2,1-4H3
InChIKeyBLOBORBCTJPAQY-UHFFFAOYSA-N
MW262.42 g/mol
LogP1.84
Rot. Bonds6

About N-(3-methyl-2-propan-2-ylbutyl)pyrrolidine-1-sulfonamide

N-(3-methyl-2-propan-2-ylbutyl)pyrrolidine-1-sulfonamide (PubChem CID 102912990) has the molecular formula C12H26N2O2S and a molecular weight of 262.42 g/mol. Its IUPAC name is N-(3-methyl-2-propan-2-ylbutyl)pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-(3-methyl-2-propan-2-ylbutyl)pyrrolidine-1-sulfonamide
PubChem CID102912990
Molecular FormulaC12H26N2O2S
Molecular Weight262.42 g/mol
Exact Mass262.17
IUPAC NameN-(3-methyl-2-propan-2-ylbutyl)pyrrolidine-1-sulfonamide
SMILESCC(C)C(CNS(=O)(=O)N1CCCC1)C(C)C
InChIInChI=1S/C12H26N2O2S/c1-10(2)12(11(3)4)9-13-17(15,16)14-7-5-6-8-14/h10-13H,5-9H2,1-4H3
InChIKeyBLOBORBCTJPAQY-UHFFFAOYSA-N
XLogP1.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chloropropyl)pyrrolidine-1-sulfonamide
CID 65033458
1-[(3-methyl-2-propan-2-ylbutyl)sulfamoyl]piperidine-3-carboxylic acid
CID 102903673
N-[2-methyl-3-(methylamino)propyl]pyrrolidine-1-sulfonamide
CID 115302890
N-(3-amino-2-methylpropyl)pyrrolidine-1-sulfonamide
CID 62667987
N-(4-chloro-2-methylbutyl)pyrrolidine-1-sulfonamide
CID 66090656
N-(4-amino-2-methylbutyl)pyrrolidine-1-sulfonamide
CID 66090218
N-(2-chloro-4-methylpentyl)piperidine-1-sulfonamide
CID 107158249
N-(4-hydroxy-2-methylbutyl)azepane-1-sulfonamide
CID 66107139
4-(azepan-1-ylsulfonylamino)-3-methylbutanoic acid
CID 81065684
N-(2,3-dihydroxypropyl)pyrrolidine-1-sulfonamide
CID 66176482
N-ethylazepane-1-sulfonamide
CID 43213421
N-(2-bromo-4,4-dimethylpentyl)pyrrolidine-1-sulfonamide
CID 107158123

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-propan-2-ylbutyl)pyrrolidine-1-sulfonamide?
The IUPAC name of N-(3-methyl-2-propan-2-ylbutyl)pyrrolidine-1-sulfonamide (CID 102912990) is N-(3-methyl-2-propan-2-ylbutyl)pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-(3-methyl-2-propan-2-ylbutyl)pyrrolidine-1-sulfonamide?
The canonical SMILES for N-(3-methyl-2-propan-2-ylbutyl)pyrrolidine-1-sulfonamide is CC(C)C(CNS(=O)(=O)N1CCCC1)C(C)C.
What is the InChIKey of N-(3-methyl-2-propan-2-ylbutyl)pyrrolidine-1-sulfonamide?
The InChIKey is BLOBORBCTJPAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2S/c1-10(2)12(11(3)4)9-13-17(15,16)14-7-5-6-8-14/h10-13H,5-9H2,1-4H3.
What are the key properties of N-(3-methyl-2-propan-2-ylbutyl)pyrrolidine-1-sulfonamide?
N-(3-methyl-2-propan-2-ylbutyl)pyrrolidine-1-sulfonamide has a molecular weight of 262.42 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-propan-2-ylbutyl)pyrrolidine-1-sulfonamide is sourced from PubChem (CID 102912990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).