trans-(1R,2S)-1-amino-N-cyclopropylsulfonyl-2-ethenylcyclopropane-1-carboxamide

C9H14N2O3S — CID 23595125

IUPACtrans-(1R,2S)-1-amino-N-cyclopropylsulfonyl-2-ethenylcyclopropane-1-carboxamide
SMILESC=C[C@@H]1C[C@]1(N)C(=O)NS(=O)(=O)C1CC1
InChIInChI=1S/C9H14N2O3S/c1-2-6-5-9(6,10)8(12)11-15(13,14)7-3-4-7/h2,6-7H,1,3-5,10H2,(H,11,12)/t6-,9-/m1/s1
InChIKeyVGHBWKACJXNKAF-HZGVNTEJSA-N
MW230.29 g/mol
LogP-0.50
Rot. Bonds4

About trans-(1R,2S)-1-amino-N-cyclopropylsulfonyl-2-ethenylcyclopropane-1-carboxamide

trans-(1R,2S)-1-amino-N-cyclopropylsulfonyl-2-ethenylcyclopropane-1-carboxamide (PubChem CID 23595125) has the molecular formula C9H14N2O3S and a molecular weight of 230.29 g/mol. Its IUPAC name is trans-(1R,2S)-1-amino-N-cyclopropylsulfonyl-2-ethenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2S)-1-amino-N-cyclopropylsulfonyl-2-ethenylcyclopropane-1-carboxamide
PubChem CID23595125
Molecular FormulaC9H14N2O3S
Molecular Weight230.29 g/mol
Exact Mass230.07
IUPAC Nametrans-(1R,2S)-1-amino-N-cyclopropylsulfonyl-2-ethenylcyclopropane-1-carboxamide
SMILESC=C[C@@H]1C[C@]1(N)C(=O)NS(=O)(=O)C1CC1
InChIInChI=1S/C9H14N2O3S/c1-2-6-5-9(6,10)8(12)11-15(13,14)7-3-4-7/h2,6-7H,1,3-5,10H2,(H,11,12)/t6-,9-/m1/s1
InChIKeyVGHBWKACJXNKAF-HZGVNTEJSA-N
XLogP-0.50
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 trans-(1R,2S)-1-amino-N-cyclopropylsulfonyl-2-ethenylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2S)-1-amino-N-cyclopropylsulfonyl-2-ethenylcyclopropane-1-carboxamide (CID 23595125) is trans-(1R,2S)-1-amino-N-cyclopropylsulfonyl-2-ethenylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2S)-1-amino-N-cyclopropylsulfonyl-2-ethenylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2S)-1-amino-N-cyclopropylsulfonyl-2-ethenylcyclopropane-1-carboxamide is C=C[C@@H]1C[C@]1(N)C(=O)NS(=O)(=O)C1CC1.
What is the InChIKey of trans-(1R,2S)-1-amino-N-cyclopropylsulfonyl-2-ethenylcyclopropane-1-carboxamide?
The InChIKey is VGHBWKACJXNKAF-HZGVNTEJSA-N. The full InChI is InChI=1S/C9H14N2O3S/c1-2-6-5-9(6,10)8(12)11-15(13,14)7-3-4-7/h2,6-7H,1,3-5,10H2,(H,11,12)/t6-,9-/m1/s1.
What are the key properties of trans-(1R,2S)-1-amino-N-cyclopropylsulfonyl-2-ethenylcyclopropane-1-carboxamide?
trans-(1R,2S)-1-amino-N-cyclopropylsulfonyl-2-ethenylcyclopropane-1-carboxamide has a molecular weight of 230.29 g/mol, XLogP of -0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-1-amino-N-cyclopropylsulfonyl-2-ethenylcyclopropane-1-carboxamide is sourced from PubChem (CID 23595125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).