cis-(1R,2S)-2-ethenyl-N-[[2-(methylamino)-3-pyridinyl]sulfonyl]-1-propan-2-ylcyclopropane-1-carboxamide

C15H21N3O3S — CID 59009648

IUPACcis-(1R,2S)-2-ethenyl-N-[[2-(methylamino)-3-pyridinyl]sulfonyl]-1-propan-2-ylcyclopropane-1-carboxamide
SMILESC=C[C@@H]1C[C@@]1(C(=O)NS(=O)(=O)c1cccnc1NC)C(C)C
InChIInChI=1S/C15H21N3O3S/c1-5-11-9-15(11,10(2)3)14(19)18-22(20,21)12-7-6-8-17-13(12)16-4/h5-8,10-11H,1,9H2,2-4H3,(H,16,17)(H,18,19)/t11-,15-/m1/s1
InChIKeyHVRFAOGHIIRDMF-IAQYHMDHSA-N
MW323.42 g/mol
LogP1.78
Rot. Bonds6

About cis-(1R,2S)-2-ethenyl-N-[[2-(methylamino)-3-pyridinyl]sulfonyl]-1-propan-2-ylcyclopropane-1-carboxamide

cis-(1R,2S)-2-ethenyl-N-[[2-(methylamino)-3-pyridinyl]sulfonyl]-1-propan-2-ylcyclopropane-1-carboxamide (PubChem CID 59009648) has the molecular formula C15H21N3O3S and a molecular weight of 323.42 g/mol. Its IUPAC name is cis-(1R,2S)-2-ethenyl-N-[[2-(methylamino)-3-pyridinyl]sulfonyl]-1-propan-2-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-2-ethenyl-N-[[2-(methylamino)-3-pyridinyl]sulfonyl]-1-propan-2-ylcyclopropane-1-carboxamide
PubChem CID59009648
Molecular FormulaC15H21N3O3S
Molecular Weight323.42 g/mol
Exact Mass323.13
IUPAC Namecis-(1R,2S)-2-ethenyl-N-[[2-(methylamino)-3-pyridinyl]sulfonyl]-1-propan-2-ylcyclopropane-1-carboxamide
SMILESC=C[C@@H]1C[C@@]1(C(=O)NS(=O)(=O)c1cccnc1NC)C(C)C
InChIInChI=1S/C15H21N3O3S/c1-5-11-9-15(11,10(2)3)14(19)18-22(20,21)12-7-6-8-17-13(12)16-4/h5-8,10-11H,1,9H2,2-4H3,(H,16,17)(H,18,19)/t11-,15-/m1/s1
InChIKeyHVRFAOGHIIRDMF-IAQYHMDHSA-N
XLogP1.78
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-ethenyl-N-[[2-(methylamino)-3-pyridinyl]sulfonyl]-1-propan-2-ylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-2-ethenyl-N-[[2-(methylamino)-3-pyridinyl]sulfonyl]-1-propan-2-ylcyclopropane-1-carboxamide (CID 59009648) is cis-(1R,2S)-2-ethenyl-N-[[2-(methylamino)-3-pyridinyl]sulfonyl]-1-propan-2-ylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-2-ethenyl-N-[[2-(methylamino)-3-pyridinyl]sulfonyl]-1-propan-2-ylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-2-ethenyl-N-[[2-(methylamino)-3-pyridinyl]sulfonyl]-1-propan-2-ylcyclopropane-1-carboxamide is C=C[C@@H]1C[C@@]1(C(=O)NS(=O)(=O)c1cccnc1NC)C(C)C.
What is the InChIKey of cis-(1R,2S)-2-ethenyl-N-[[2-(methylamino)-3-pyridinyl]sulfonyl]-1-propan-2-ylcyclopropane-1-carboxamide?
The InChIKey is HVRFAOGHIIRDMF-IAQYHMDHSA-N. The full InChI is InChI=1S/C15H21N3O3S/c1-5-11-9-15(11,10(2)3)14(19)18-22(20,21)12-7-6-8-17-13(12)16-4/h5-8,10-11H,1,9H2,2-4H3,(H,16,17)(H,18,19)/t11-,15-/m1/s1.
What are the key properties of cis-(1R,2S)-2-ethenyl-N-[[2-(methylamino)-3-pyridinyl]sulfonyl]-1-propan-2-ylcyclopropane-1-carboxamide?
cis-(1R,2S)-2-ethenyl-N-[[2-(methylamino)-3-pyridinyl]sulfonyl]-1-propan-2-ylcyclopropane-1-carboxamide has a molecular weight of 323.42 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-ethenyl-N-[[2-(methylamino)-3-pyridinyl]sulfonyl]-1-propan-2-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 59009648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).