N-tert-butyl-1-methylsulfonylpyrrolidin-3-amine

C9H20N2O2S — CID 72663039

IUPACN-tert-butyl-1-methylsulfonylpyrrolidin-3-amine
SMILESCC(C)(C)NC1CCN(S(C)(=O)=O)C1
InChIInChI=1S/C9H20N2O2S/c1-9(2,3)10-8-5-6-11(7-8)14(4,12)13/h8,10H,5-7H2,1-4H3
InChIKeyNDNZPYBNPQALCK-UHFFFAOYSA-N
MW220.34 g/mol
LogP0.41
Rot. Bonds2

About N-tert-butyl-1-methylsulfonylpyrrolidin-3-amine

N-tert-butyl-1-methylsulfonylpyrrolidin-3-amine (PubChem CID 72663039) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is N-tert-butyl-1-methylsulfonylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-tert-butyl-1-methylsulfonylpyrrolidin-3-amine
PubChem CID72663039
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC NameN-tert-butyl-1-methylsulfonylpyrrolidin-3-amine
SMILESCC(C)(C)NC1CCN(S(C)(=O)=O)C1
InChIInChI=1S/C9H20N2O2S/c1-9(2,3)10-8-5-6-11(7-8)14(4,12)13/h8,10H,5-7H2,1-4H3
InChIKeyNDNZPYBNPQALCK-UHFFFAOYSA-N
XLogP0.41
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-iodo-1-methylsulfonylpyrrolidin-3-amine
CID 163979341
1-methylsulfonyl-N-(2,3,3-trimethylbutan-2-yl)piperidin-4-amine
CID 58297307
N-tert-butyl-1-methylpyrrolidin-3-amine;ethane
CID 167501392
3-(2,2-dimethylpropyl)-1-methylsulfonylpyrrolidine
CID 59148137
(3R)-1-methylsulfonylpyrrolidin-3-ol
CID 78998740
1-methylsulfonylpyrrolidin-3-ol
CID 20745843
2-chloro-N-(1-methylsulfonylpyrrolidin-3-yl)prop-2-enamide
CID 130856195
1-[3-(tert-butylamino)pyrrolidin-1-yl]ethanone
CID 58945224
4-bromo-N-(1-methylsulfonylpyrrolidin-3-yl)benzamide
CID 110871266
2-methyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]butanamide
CID 112738058
N-[1-(1-methylpiperidin-3-yl)ethyl]-1-methylsulfonylpiperidin-4-amine
CID 43628732
(3S)-1-methylsulfonylpyrrolidin-3-amine;hydrochloride
CID 66672546

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-methylsulfonylpyrrolidin-3-amine?
The IUPAC name of N-tert-butyl-1-methylsulfonylpyrrolidin-3-amine (CID 72663039) is N-tert-butyl-1-methylsulfonylpyrrolidin-3-amine.
What is the SMILES notation for N-tert-butyl-1-methylsulfonylpyrrolidin-3-amine?
The canonical SMILES for N-tert-butyl-1-methylsulfonylpyrrolidin-3-amine is CC(C)(C)NC1CCN(S(C)(=O)=O)C1.
What is the InChIKey of N-tert-butyl-1-methylsulfonylpyrrolidin-3-amine?
The InChIKey is NDNZPYBNPQALCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-9(2,3)10-8-5-6-11(7-8)14(4,12)13/h8,10H,5-7H2,1-4H3.
What are the key properties of N-tert-butyl-1-methylsulfonylpyrrolidin-3-amine?
N-tert-butyl-1-methylsulfonylpyrrolidin-3-amine has a molecular weight of 220.34 g/mol, XLogP of 0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-methylsulfonylpyrrolidin-3-amine is sourced from PubChem (CID 72663039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).