N-methyl-1-(1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl)methanamine;hydrochloride

C10H22ClN3O2S — CID 119977537

IUPACN-methyl-1-(1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl)methanamine;hydrochloride
SMILESCNCC1CCN(S(=O)(=O)N2CCCC2)C1.Cl
InChIInChI=1S/C10H21N3O2S.ClH/c1-11-8-10-4-7-13(9-10)16(14,15)12-5-2-3-6-12;/h10-11H,2-9H2,1H3;1H
InChIKeyWTKATUIXNIHEQX-UHFFFAOYSA-N
MW283.82 g/mol
LogP0.29
Rot. Bonds4

About N-methyl-1-(1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl)methanamine;hydrochloride

N-methyl-1-(1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl)methanamine;hydrochloride (PubChem CID 119977537) has the molecular formula C10H22ClN3O2S and a molecular weight of 283.82 g/mol. Its IUPAC name is N-methyl-1-(1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl)methanamine;hydrochloride.

Molecular Properties

Compound NameN-methyl-1-(1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl)methanamine;hydrochloride
PubChem CID119977537
Molecular FormulaC10H22ClN3O2S
Molecular Weight283.82 g/mol
Exact Mass283.11
IUPAC NameN-methyl-1-(1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl)methanamine;hydrochloride
SMILESCNCC1CCN(S(=O)(=O)N2CCCC2)C1.Cl
InChIInChI=1S/C10H21N3O2S.ClH/c1-11-8-10-4-7-13(9-10)16(14,15)12-5-2-3-6-12;/h10-11H,2-9H2,1H3;1H
InChIKeyWTKATUIXNIHEQX-UHFFFAOYSA-N
XLogP0.29
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.82
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl)methanamine;hydrochloride?
The IUPAC name of N-methyl-1-(1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl)methanamine;hydrochloride (CID 119977537) is N-methyl-1-(1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl)methanamine;hydrochloride.
What is the SMILES notation for N-methyl-1-(1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl)methanamine;hydrochloride?
The canonical SMILES for N-methyl-1-(1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl)methanamine;hydrochloride is CNCC1CCN(S(=O)(=O)N2CCCC2)C1.Cl.
What is the InChIKey of N-methyl-1-(1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl)methanamine;hydrochloride?
The InChIKey is WTKATUIXNIHEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2S.ClH/c1-11-8-10-4-7-13(9-10)16(14,15)12-5-2-3-6-12;/h10-11H,2-9H2,1H3;1H.
What are the key properties of N-methyl-1-(1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl)methanamine;hydrochloride?
N-methyl-1-(1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl)methanamine;hydrochloride has a molecular weight of 283.82 g/mol, XLogP of 0.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl)methanamine;hydrochloride is sourced from PubChem (CID 119977537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).