3-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]propane-1-sulfonamide

C10H23N3O2S — CID 79313720

IUPAC3-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]propane-1-sulfonamide
SMILESCN1CCCC1CN(C)S(=O)(=O)CCCN
InChIInChI=1S/C10H23N3O2S/c1-12-7-3-5-10(12)9-13(2)16(14,15)8-4-6-11/h10H,3-9,11H2,1-2H3
InChIKeyZQFVZCLTNJBCHQ-UHFFFAOYSA-N
MW249.38 g/mol
LogP-0.31
Rot. Bonds6

About 3-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]propane-1-sulfonamide

3-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]propane-1-sulfonamide (PubChem CID 79313720) has the molecular formula C10H23N3O2S and a molecular weight of 249.38 g/mol. Its IUPAC name is 3-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]propane-1-sulfonamide.

Molecular Properties

Compound Name3-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]propane-1-sulfonamide
PubChem CID79313720
Molecular FormulaC10H23N3O2S
Molecular Weight249.38 g/mol
Exact Mass249.15
IUPAC Name3-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]propane-1-sulfonamide
SMILESCN1CCCC1CN(C)S(=O)(=O)CCCN
InChIInChI=1S/C10H23N3O2S/c1-12-7-3-5-10(12)9-13(2)16(14,15)8-4-6-11/h10H,3-9,11H2,1-2H3
InChIKeyZQFVZCLTNJBCHQ-UHFFFAOYSA-N
XLogP-0.31
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]methanesulfonamide
CID 59418403
4-amino-N-(cyclopentylmethyl)-N-methylbutane-1-sulfonamide
CID 63630732
5-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pentanamide
CID 79314072
3-amino-N-methyl-N-(2-pyrrolidin-1-ylethyl)propane-1-sulfonamide
CID 63207731
1-[4-(chloromethyl)phenyl]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]methanesulfonamide
CID 79308820
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-3-(propylamino)propane-1-sulfonamide
CID 79318230
5-(aminomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]furan-2-sulfonamide
CID 79317578
N,2-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]pentane-1,5-diamine
CID 104682305
methyl 4-[(1-ethylpyrrolidin-2-yl)methyl-methylsulfamoyl]butanoate
CID 79314621
2-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-5-sulfonamide
CID 79312411
2-amino-4,6-dibromo-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzenesulfonamide
CID 79304411
6-(aminomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-sulfonamide
CID 114613614

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]propane-1-sulfonamide?
The IUPAC name of 3-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]propane-1-sulfonamide (CID 79313720) is 3-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]propane-1-sulfonamide.
What is the SMILES notation for 3-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]propane-1-sulfonamide?
The canonical SMILES for 3-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]propane-1-sulfonamide is CN1CCCC1CN(C)S(=O)(=O)CCCN.
What is the InChIKey of 3-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]propane-1-sulfonamide?
The InChIKey is ZQFVZCLTNJBCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O2S/c1-12-7-3-5-10(12)9-13(2)16(14,15)8-4-6-11/h10H,3-9,11H2,1-2H3.
What are the key properties of 3-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]propane-1-sulfonamide?
3-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]propane-1-sulfonamide has a molecular weight of 249.38 g/mol, XLogP of -0.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]propane-1-sulfonamide is sourced from PubChem (CID 79313720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).