N-(3-amino-4-methylpentyl)-N-methylpyrrolidine-1-sulfonamide

C11H25N3O2S — CID 115317691

IUPACN-(3-amino-4-methylpentyl)-N-methylpyrrolidine-1-sulfonamide
SMILESCC(C)C(N)CCN(C)S(=O)(=O)N1CCCC1
InChIInChI=1S/C11H25N3O2S/c1-10(2)11(12)6-9-13(3)17(15,16)14-7-4-5-8-14/h10-11H,4-9,12H2,1-3H3
InChIKeyKDKSYXAYHRFIKS-UHFFFAOYSA-N
MW263.41 g/mol
LogP0.63
Rot. Bonds6

About N-(3-amino-4-methylpentyl)-N-methylpyrrolidine-1-sulfonamide

N-(3-amino-4-methylpentyl)-N-methylpyrrolidine-1-sulfonamide (PubChem CID 115317691) has the molecular formula C11H25N3O2S and a molecular weight of 263.41 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-N-methylpyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-N-methylpyrrolidine-1-sulfonamide
PubChem CID115317691
Molecular FormulaC11H25N3O2S
Molecular Weight263.41 g/mol
Exact Mass263.17
IUPAC NameN-(3-amino-4-methylpentyl)-N-methylpyrrolidine-1-sulfonamide
SMILESCC(C)C(N)CCN(C)S(=O)(=O)N1CCCC1
InChIInChI=1S/C11H25N3O2S/c1-10(2)11(12)6-9-13(3)17(15,16)14-7-4-5-8-14/h10-11H,4-9,12H2,1-3H3
InChIKeyKDKSYXAYHRFIKS-UHFFFAOYSA-N
XLogP0.63
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-4-methylpentyl)-N,3-dimethylpiperidine-1-sulfonamide
CID 115317600
N-(2-chloroethyl)-N-methylpyrrolidine-1-sulfonamide
CID 63396691
N-(3-aminopropyl)-N-methylpiperidine-1-sulfonamide
CID 28783231
N-(3-amino-4-methylpentyl)-1,1-difluoro-N-methylmethanesulfonamide
CID 115317705
N-(2-hydroxypropyl)-N-methylpiperidine-1-sulfonamide
CID 62333146
N-(2-bromopropyl)-N-methylpiperidine-1-sulfonamide
CID 80671423
N-(3-amino-4-methylpentyl)-1-cyclohexyl-N-methylmethanesulfonamide;hydrochloride
CID 119992202
N-(3-amino-2,2-dimethylpropyl)-N-methylazepane-1-sulfonamide
CID 79653279
[[(3-amino-4-methylpentyl)-methylsulfamoyl]amino]cyclopropane
CID 114811297
2-[(3-amino-4-methylpentyl)-methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 81491160
N-(3-aminopropyl)-N-propan-2-ylpyrrolidine-1-sulfonamide
CID 43136959
N-(2-hydroxy-2-methylpropyl)-N-methylazepane-1-sulfonamide
CID 79387780

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-N-methylpyrrolidine-1-sulfonamide?
The IUPAC name of N-(3-amino-4-methylpentyl)-N-methylpyrrolidine-1-sulfonamide (CID 115317691) is N-(3-amino-4-methylpentyl)-N-methylpyrrolidine-1-sulfonamide.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-N-methylpyrrolidine-1-sulfonamide?
The canonical SMILES for N-(3-amino-4-methylpentyl)-N-methylpyrrolidine-1-sulfonamide is CC(C)C(N)CCN(C)S(=O)(=O)N1CCCC1.
What is the InChIKey of N-(3-amino-4-methylpentyl)-N-methylpyrrolidine-1-sulfonamide?
The InChIKey is KDKSYXAYHRFIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2S/c1-10(2)11(12)6-9-13(3)17(15,16)14-7-4-5-8-14/h10-11H,4-9,12H2,1-3H3.
What are the key properties of N-(3-amino-4-methylpentyl)-N-methylpyrrolidine-1-sulfonamide?
N-(3-amino-4-methylpentyl)-N-methylpyrrolidine-1-sulfonamide has a molecular weight of 263.41 g/mol, XLogP of 0.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-N-methylpyrrolidine-1-sulfonamide is sourced from PubChem (CID 115317691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).