(3R)-N,N-dimethyl-1-[(3E)-penta-1,3-dien-3-yl]sulfonylpyrrolidin-3-amine

C11H20N2O2S — CID 143369575

IUPAC(3R)-N,N-dimethyl-1-[(3E)-penta-1,3-dien-3-yl]sulfonylpyrrolidin-3-amine
SMILESC=C/C(=C\C)S(=O)(=O)N1CC[C@@H](N(C)C)C1
InChIInChI=1S/C11H20N2O2S/c1-5-11(6-2)16(14,15)13-8-7-10(9-13)12(3)4/h5-6,10H,1,7-9H2,2-4H3/b11-6+/t10-/m1/s1
InChIKeyJBSMHMWPWYOYAH-VUUNSECVSA-N
MW244.36 g/mol
LogP1.04
Rot. Bonds4

About (3R)-N,N-dimethyl-1-[(3E)-penta-1,3-dien-3-yl]sulfonylpyrrolidin-3-amine

(3R)-N,N-dimethyl-1-[(3E)-penta-1,3-dien-3-yl]sulfonylpyrrolidin-3-amine (PubChem CID 143369575) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is (3R)-N,N-dimethyl-1-[(3E)-penta-1,3-dien-3-yl]sulfonylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-N,N-dimethyl-1-[(3E)-penta-1,3-dien-3-yl]sulfonylpyrrolidin-3-amine
PubChem CID143369575
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC Name(3R)-N,N-dimethyl-1-[(3E)-penta-1,3-dien-3-yl]sulfonylpyrrolidin-3-amine
SMILESC=C/C(=C\C)S(=O)(=O)N1CC[C@@H](N(C)C)C1
InChIInChI=1S/C11H20N2O2S/c1-5-11(6-2)16(14,15)13-8-7-10(9-13)12(3)4/h5-6,10H,1,7-9H2,2-4H3/b11-6+/t10-/m1/s1
InChIKeyJBSMHMWPWYOYAH-VUUNSECVSA-N
XLogP1.04
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 154991904
2-bromo-5-[3-(dimethylamino)pyrrolidin-1-yl]sulfonylbenzoic acid
CID 63164658
4-[3-(dimethylamino)pyrrolidin-1-yl]sulfonyl-2,5-dimethylfuran-3-carboxylic acid
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N,N-dimethyl-1-(2-piperazin-1-ylethylsulfonyl)pyrrolidin-3-amine
CID 63542029
5-[3-(dimethylamino)pyrrolidin-1-yl]sulfonylthiophene-3-carboxylic acid
CID 63164467
1-(2-amino-4-bromophenyl)sulfonyl-N,N-dimethylpyrrolidin-3-amine
CID 63164439
5-[3-(dimethylamino)pyrrolidin-1-yl]sulfonyl-1H-pyridin-2-one
CID 63174689

Frequently Asked Questions

What is the IUPAC name of (3R)-N,N-dimethyl-1-[(3E)-penta-1,3-dien-3-yl]sulfonylpyrrolidin-3-amine?
The IUPAC name of (3R)-N,N-dimethyl-1-[(3E)-penta-1,3-dien-3-yl]sulfonylpyrrolidin-3-amine (CID 143369575) is (3R)-N,N-dimethyl-1-[(3E)-penta-1,3-dien-3-yl]sulfonylpyrrolidin-3-amine.
What is the SMILES notation for (3R)-N,N-dimethyl-1-[(3E)-penta-1,3-dien-3-yl]sulfonylpyrrolidin-3-amine?
The canonical SMILES for (3R)-N,N-dimethyl-1-[(3E)-penta-1,3-dien-3-yl]sulfonylpyrrolidin-3-amine is C=C/C(=C\C)S(=O)(=O)N1CC[C@@H](N(C)C)C1.
What is the InChIKey of (3R)-N,N-dimethyl-1-[(3E)-penta-1,3-dien-3-yl]sulfonylpyrrolidin-3-amine?
The InChIKey is JBSMHMWPWYOYAH-VUUNSECVSA-N. The full InChI is InChI=1S/C11H20N2O2S/c1-5-11(6-2)16(14,15)13-8-7-10(9-13)12(3)4/h5-6,10H,1,7-9H2,2-4H3/b11-6+/t10-/m1/s1.
What are the key properties of (3R)-N,N-dimethyl-1-[(3E)-penta-1,3-dien-3-yl]sulfonylpyrrolidin-3-amine?
(3R)-N,N-dimethyl-1-[(3E)-penta-1,3-dien-3-yl]sulfonylpyrrolidin-3-amine has a molecular weight of 244.36 g/mol, XLogP of 1.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N,N-dimethyl-1-[(3E)-penta-1,3-dien-3-yl]sulfonylpyrrolidin-3-amine is sourced from PubChem (CID 143369575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).