(2S)-2-[(dimethylsulfamoylamino)methyl]-1-methylpyrrolidine

C8H19N3O2S — CID 59708486

IUPAC(2S)-2-[(dimethylsulfamoylamino)methyl]-1-methylpyrrolidine
SMILESCN1CCC[C@H]1CNS(=O)(=O)N(C)C
InChIInChI=1S/C8H19N3O2S/c1-10(2)14(12,13)9-7-8-5-4-6-11(8)3/h8-9H,4-7H2,1-3H3/t8-/m0/s1
InChIKeyQIECODHQUAUZBI-QMMMGPOBSA-N
MW221.33 g/mol
LogP-0.52
Rot. Bonds4

About (2S)-2-[(dimethylsulfamoylamino)methyl]-1-methylpyrrolidine

(2S)-2-[(dimethylsulfamoylamino)methyl]-1-methylpyrrolidine (PubChem CID 59708486) has the molecular formula C8H19N3O2S and a molecular weight of 221.33 g/mol. Its IUPAC name is (2S)-2-[(dimethylsulfamoylamino)methyl]-1-methylpyrrolidine.

Molecular Properties

Compound Name(2S)-2-[(dimethylsulfamoylamino)methyl]-1-methylpyrrolidine
PubChem CID59708486
Molecular FormulaC8H19N3O2S
Molecular Weight221.33 g/mol
Exact Mass221.12
IUPAC Name(2S)-2-[(dimethylsulfamoylamino)methyl]-1-methylpyrrolidine
SMILESCN1CCC[C@H]1CNS(=O)(=O)N(C)C
InChIInChI=1S/C8H19N3O2S/c1-10(2)14(12,13)9-7-8-5-4-6-11(8)3/h8-9H,4-7H2,1-3H3/t8-/m0/s1
InChIKeyQIECODHQUAUZBI-QMMMGPOBSA-N
XLogP-0.52
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(dimethylsulfamoylamino)methyl]-1-methylpyrrolidine?
The IUPAC name of (2S)-2-[(dimethylsulfamoylamino)methyl]-1-methylpyrrolidine (CID 59708486) is (2S)-2-[(dimethylsulfamoylamino)methyl]-1-methylpyrrolidine.
What is the SMILES notation for (2S)-2-[(dimethylsulfamoylamino)methyl]-1-methylpyrrolidine?
The canonical SMILES for (2S)-2-[(dimethylsulfamoylamino)methyl]-1-methylpyrrolidine is CN1CCC[C@H]1CNS(=O)(=O)N(C)C.
What is the InChIKey of (2S)-2-[(dimethylsulfamoylamino)methyl]-1-methylpyrrolidine?
The InChIKey is QIECODHQUAUZBI-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H19N3O2S/c1-10(2)14(12,13)9-7-8-5-4-6-11(8)3/h8-9H,4-7H2,1-3H3/t8-/m0/s1.
What are the key properties of (2S)-2-[(dimethylsulfamoylamino)methyl]-1-methylpyrrolidine?
(2S)-2-[(dimethylsulfamoylamino)methyl]-1-methylpyrrolidine has a molecular weight of 221.33 g/mol, XLogP of -0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(dimethylsulfamoylamino)methyl]-1-methylpyrrolidine is sourced from PubChem (CID 59708486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).