5,5-dimethyl-1-(1H-pyrrol-3-ylsulfonyl)pyrrolidin-3-amine

C10H17N3O2S — CID 115275623

IUPAC5,5-dimethyl-1-(1H-pyrrol-3-ylsulfonyl)pyrrolidin-3-amine
SMILESCC1(C)CC(N)CN1S(=O)(=O)c1cc[nH]c1
InChIInChI=1S/C10H17N3O2S/c1-10(2)5-8(11)7-13(10)16(14,15)9-3-4-12-6-9/h3-4,6,8,12H,5,7,11H2,1-2H3
InChIKeyJPTOSUOCMFAJRZ-UHFFFAOYSA-N
MW243.33 g/mol
LogP0.51
Rot. Bonds2

About 5,5-dimethyl-1-(1H-pyrrol-3-ylsulfonyl)pyrrolidin-3-amine

5,5-dimethyl-1-(1H-pyrrol-3-ylsulfonyl)pyrrolidin-3-amine (PubChem CID 115275623) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is 5,5-dimethyl-1-(1H-pyrrol-3-ylsulfonyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name5,5-dimethyl-1-(1H-pyrrol-3-ylsulfonyl)pyrrolidin-3-amine
PubChem CID115275623
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name5,5-dimethyl-1-(1H-pyrrol-3-ylsulfonyl)pyrrolidin-3-amine
SMILESCC1(C)CC(N)CN1S(=O)(=O)c1cc[nH]c1
InChIInChI=1S/C10H17N3O2S/c1-10(2)5-8(11)7-13(10)16(14,15)9-3-4-12-6-9/h3-4,6,8,12H,5,7,11H2,1-2H3
InChIKeyJPTOSUOCMFAJRZ-UHFFFAOYSA-N
XLogP0.51
TPSA79.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-1-(1H-pyrrol-3-ylsulfonyl)pyrrolidin-3-amine?
The IUPAC name of 5,5-dimethyl-1-(1H-pyrrol-3-ylsulfonyl)pyrrolidin-3-amine (CID 115275623) is 5,5-dimethyl-1-(1H-pyrrol-3-ylsulfonyl)pyrrolidin-3-amine.
What is the SMILES notation for 5,5-dimethyl-1-(1H-pyrrol-3-ylsulfonyl)pyrrolidin-3-amine?
The canonical SMILES for 5,5-dimethyl-1-(1H-pyrrol-3-ylsulfonyl)pyrrolidin-3-amine is CC1(C)CC(N)CN1S(=O)(=O)c1cc[nH]c1.
What is the InChIKey of 5,5-dimethyl-1-(1H-pyrrol-3-ylsulfonyl)pyrrolidin-3-amine?
The InChIKey is JPTOSUOCMFAJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-10(2)5-8(11)7-13(10)16(14,15)9-3-4-12-6-9/h3-4,6,8,12H,5,7,11H2,1-2H3.
What are the key properties of 5,5-dimethyl-1-(1H-pyrrol-3-ylsulfonyl)pyrrolidin-3-amine?
5,5-dimethyl-1-(1H-pyrrol-3-ylsulfonyl)pyrrolidin-3-amine has a molecular weight of 243.33 g/mol, XLogP of 0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-1-(1H-pyrrol-3-ylsulfonyl)pyrrolidin-3-amine is sourced from PubChem (CID 115275623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).