1-[2-methyl-2-(sulfinatoamino)propyl]pyrrolidine

C8H17N2O2S- — CID 57419768

IUPAC1-[2-methyl-2-(sulfinatoamino)propyl]pyrrolidine
SMILESCC(C)(CN1CCCC1)NS(=O)[O-]
InChIInChI=1S/C8H18N2O2S/c1-8(2,9-13(11)12)7-10-5-3-4-6-10/h9H,3-7H2,1-2H3,(H,11,12)/p-1
InChIKeySYJIXYDLGOQJDG-UHFFFAOYSA-M
MW205.30 g/mol
LogP0.24
Rot. Bonds4

About 1-[2-methyl-2-(sulfinatoamino)propyl]pyrrolidine

1-[2-methyl-2-(sulfinatoamino)propyl]pyrrolidine (PubChem CID 57419768) has the molecular formula C8H17N2O2S- and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-[2-methyl-2-(sulfinatoamino)propyl]pyrrolidine.

Molecular Properties

Compound Name1-[2-methyl-2-(sulfinatoamino)propyl]pyrrolidine
PubChem CID57419768
Molecular FormulaC8H17N2O2S-
Molecular Weight205.30 g/mol
Exact Mass205.10
IUPAC Name1-[2-methyl-2-(sulfinatoamino)propyl]pyrrolidine
SMILESCC(C)(CN1CCCC1)NS(=O)[O-]
InChIInChI=1S/C8H18N2O2S/c1-8(2,9-13(11)12)7-10-5-3-4-6-10/h9H,3-7H2,1-2H3,(H,11,12)/p-1
InChIKeySYJIXYDLGOQJDG-UHFFFAOYSA-M
XLogP0.24
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

2-Methyl-1-(pyrrolidin-1-yl)propan-2-amine
CID 2794701
1-Tert-butyl-3-(dimethylsulfamoylamino)pyrrolidine
CID 59788284
N-tert-butylpyrrolidine-1-sulfonamide
CID 60723568
N-(2-aminoethyl)-N-propylpyrrolidine-1-sulfonamide
CID 61349359
3-(Dimethylsulfamoylamino)-1-ethylpyrrolidine
CID 67579438
2-Methyl-1-(pyrrolidin-1-yl)propan-2-amine hydrochloride
CID 122236471
N-(1-methylcyclopropyl)pyrrolidine-1-sulfonamide
CID 130976805
N-(2-methylbutan-2-yl)pyrrolidine-1-sulfonamide
CID 133815745
(3R)-3-amino-N-(1-amino-2-methylpropan-2-yl)pyrrolidine-1-sulfonamide
CID 155056328
2,4,4-Trimethyl-1,2,5-thiadiazolidine 1,1-dioxide
CID 157935557
ethane;1-(3-ethyl-1-oxo-1,2,5-thiadiazolidin-3-yl)-N,N-dimethylmethanamine
CID 168942626
2-Tert-butyl-4-methyl-1,2,5-thiadiazolidine 1,1-dioxide
CID 174934450

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-2-(sulfinatoamino)propyl]pyrrolidine?
The IUPAC name of 1-[2-methyl-2-(sulfinatoamino)propyl]pyrrolidine (CID 57419768) is 1-[2-methyl-2-(sulfinatoamino)propyl]pyrrolidine.
What is the SMILES notation for 1-[2-methyl-2-(sulfinatoamino)propyl]pyrrolidine?
The canonical SMILES for 1-[2-methyl-2-(sulfinatoamino)propyl]pyrrolidine is CC(C)(CN1CCCC1)NS(=O)[O-].
What is the InChIKey of 1-[2-methyl-2-(sulfinatoamino)propyl]pyrrolidine?
The InChIKey is SYJIXYDLGOQJDG-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H18N2O2S/c1-8(2,9-13(11)12)7-10-5-3-4-6-10/h9H,3-7H2,1-2H3,(H,11,12)/p-1.
What are the key properties of 1-[2-methyl-2-(sulfinatoamino)propyl]pyrrolidine?
1-[2-methyl-2-(sulfinatoamino)propyl]pyrrolidine has a molecular weight of 205.30 g/mol, XLogP of 0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-2-(sulfinatoamino)propyl]pyrrolidine is sourced from PubChem (CID 57419768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).