1-(benzenesulfonyl)-5,5-dimethylpyrrolidin-3-amine

C12H18N2O2S — CID 115269150

IUPAC1-(benzenesulfonyl)-5,5-dimethylpyrrolidin-3-amine
SMILESCC1(C)CC(N)CN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C12H18N2O2S/c1-12(2)8-10(13)9-14(12)17(15,16)11-6-4-3-5-7-11/h3-7,10H,8-9,13H2,1-2H3
InChIKeyGVYNCOIWAWAVEX-UHFFFAOYSA-N
MW254.36 g/mol
LogP1.19
Rot. Bonds2

About 1-(benzenesulfonyl)-5,5-dimethylpyrrolidin-3-amine

1-(benzenesulfonyl)-5,5-dimethylpyrrolidin-3-amine (PubChem CID 115269150) has the molecular formula C12H18N2O2S and a molecular weight of 254.36 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-5,5-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-5,5-dimethylpyrrolidin-3-amine
PubChem CID115269150
Molecular FormulaC12H18N2O2S
Molecular Weight254.36 g/mol
Exact Mass254.11
IUPAC Name1-(benzenesulfonyl)-5,5-dimethylpyrrolidin-3-amine
SMILESCC1(C)CC(N)CN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C12H18N2O2S/c1-12(2)8-10(13)9-14(12)17(15,16)11-6-4-3-5-7-11/h3-7,10H,8-9,13H2,1-2H3
InChIKeyGVYNCOIWAWAVEX-UHFFFAOYSA-N
XLogP1.19
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,5-dimethyl-1-(1H-pyrrol-3-ylsulfonyl)pyrrolidin-3-amine
CID 115275623
2,2-dimethyl-1-(4-nitrophenyl)sulfonyl-4-phenylpyrrolidine
CID 156698197
1-(4-bromothiophen-2-yl)sulfonyl-5,5-dimethylpyrrolidin-3-amine
CID 115275624
2,2-dimethyl-1-(1H-pyrrol-2-ylsulfonyl)piperidin-4-amine
CID 115276116
1-(benzenesulfonyl)-2,2-diethyl-4-phenylpyrrolidine
CID 156698182
(1S,6R)-7-(benzenesulfonyl)-1,6-dimethyl-7-azabicyclo[4.2.0]oct-3-ene
CID 94036916
1-(benzenesulfonyl)piperidin-4-amine;hydrochloride
CID 53433554
3-(2,5,5-trimethylmorpholin-4-yl)sulfonylbenzoic acid
CID 110421938
2-(benzenesulfonyl)-3,3-dimethyl-2,9-diazaspiro[5.5]undecane
CID 110160688
[(1R)-2,2-dimethylcyclopropyl]sulfonylbenzene
CID 95562608
3-(benzenesulfonyl)-3-azabicyclo[3.1.0]hexane
CID 77427931
1-(2-chlorophenyl)-5,5-dimethylpyrrolidin-3-amine
CID 117018127

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-5,5-dimethylpyrrolidin-3-amine?
The IUPAC name of 1-(benzenesulfonyl)-5,5-dimethylpyrrolidin-3-amine (CID 115269150) is 1-(benzenesulfonyl)-5,5-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-(benzenesulfonyl)-5,5-dimethylpyrrolidin-3-amine?
The canonical SMILES for 1-(benzenesulfonyl)-5,5-dimethylpyrrolidin-3-amine is CC1(C)CC(N)CN1S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-5,5-dimethylpyrrolidin-3-amine?
The InChIKey is GVYNCOIWAWAVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-12(2)8-10(13)9-14(12)17(15,16)11-6-4-3-5-7-11/h3-7,10H,8-9,13H2,1-2H3.
What are the key properties of 1-(benzenesulfonyl)-5,5-dimethylpyrrolidin-3-amine?
1-(benzenesulfonyl)-5,5-dimethylpyrrolidin-3-amine has a molecular weight of 254.36 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-5,5-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 115269150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).