N-(1-amino-4,4-dimethylpentan-3-yl)pyrrolidine-1-sulfonamide

C11H25N3O2S — CID 106357464

IUPACN-(1-amino-4,4-dimethylpentan-3-yl)pyrrolidine-1-sulfonamide
SMILESCC(C)(C)C(CCN)NS(=O)(=O)N1CCCC1
InChIInChI=1S/C11H25N3O2S/c1-11(2,3)10(6-7-12)13-17(15,16)14-8-4-5-9-14/h10,13H,4-9,12H2,1-3H3
InChIKeyRMHCKLZIBMTFKT-UHFFFAOYSA-N
MW263.41 g/mol
LogP0.68
Rot. Bonds5

About N-(1-amino-4,4-dimethylpentan-3-yl)pyrrolidine-1-sulfonamide

N-(1-amino-4,4-dimethylpentan-3-yl)pyrrolidine-1-sulfonamide (PubChem CID 106357464) has the molecular formula C11H25N3O2S and a molecular weight of 263.41 g/mol. Its IUPAC name is N-(1-amino-4,4-dimethylpentan-3-yl)pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-(1-amino-4,4-dimethylpentan-3-yl)pyrrolidine-1-sulfonamide
PubChem CID106357464
Molecular FormulaC11H25N3O2S
Molecular Weight263.41 g/mol
Exact Mass263.17
IUPAC NameN-(1-amino-4,4-dimethylpentan-3-yl)pyrrolidine-1-sulfonamide
SMILESCC(C)(C)C(CCN)NS(=O)(=O)N1CCCC1
InChIInChI=1S/C11H25N3O2S/c1-11(2,3)10(6-7-12)13-17(15,16)14-8-4-5-9-14/h10,13H,4-9,12H2,1-3H3
InChIKeyRMHCKLZIBMTFKT-UHFFFAOYSA-N
XLogP0.68
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-4-methylpentan-3-yl)azepane-1-sulfonamide
CID 106357410
N-(1-chloro-4,4-dimethylpentan-3-yl)-3-methylpiperidine-1-sulfonamide
CID 106356586
N-(4-amino-2-methylbutyl)pyrrolidine-1-sulfonamide
CID 66090218
N-(1-amino-4,4-dimethylpentan-3-yl)-1-cyclohexylmethanesulfonamide
CID 106357475
N-(1-aminoethyl)pyrrolidine-1-sulfonamide
CID 117126220
N-(1-amino-3,3-dimethylbutan-2-yl)-2-methylpiperidine-1-sulfonamide
CID 114208118
N-(1-amino-2,3-dimethylbutan-2-yl)pyrrolidine-1-sulfonamide
CID 115310584
N-(1-amino-4,4-dimethylpentan-3-yl)-2-ethoxyethanesulfonamide
CID 106357429
N-(1-amino-2-methylbutan-2-yl)azepane-1-sulfonamide
CID 61136006
3-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)pentan-1-amine
CID 43252348
4-(2-hydroxy-2-methylpropyl)-N-propan-2-ylpiperazine-1-sulfonamide
CID 113356656
diethyl 2-(piperidin-1-ylsulfonylamino)propanedioate
CID 43431744

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4,4-dimethylpentan-3-yl)pyrrolidine-1-sulfonamide?
The IUPAC name of N-(1-amino-4,4-dimethylpentan-3-yl)pyrrolidine-1-sulfonamide (CID 106357464) is N-(1-amino-4,4-dimethylpentan-3-yl)pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-(1-amino-4,4-dimethylpentan-3-yl)pyrrolidine-1-sulfonamide?
The canonical SMILES for N-(1-amino-4,4-dimethylpentan-3-yl)pyrrolidine-1-sulfonamide is CC(C)(C)C(CCN)NS(=O)(=O)N1CCCC1.
What is the InChIKey of N-(1-amino-4,4-dimethylpentan-3-yl)pyrrolidine-1-sulfonamide?
The InChIKey is RMHCKLZIBMTFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2S/c1-11(2,3)10(6-7-12)13-17(15,16)14-8-4-5-9-14/h10,13H,4-9,12H2,1-3H3.
What are the key properties of N-(1-amino-4,4-dimethylpentan-3-yl)pyrrolidine-1-sulfonamide?
N-(1-amino-4,4-dimethylpentan-3-yl)pyrrolidine-1-sulfonamide has a molecular weight of 263.41 g/mol, XLogP of 0.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4,4-dimethylpentan-3-yl)pyrrolidine-1-sulfonamide is sourced from PubChem (CID 106357464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).