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

C9H15ClN2O3S — CID 23595124

IUPACtrans-(1R,2S)-1-amino-N-cyclopropylsulfonyl-2-ethenylcyclopropane-1-carboxamide;hydrochloride
SMILESC=C[C@@H]1C[C@]1(N)C(=O)NS(=O)(=O)C1CC1.Cl
InChIInChI=1S/C9H14N2O3S.ClH/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);1H/t6-,9-;/m1./s1
InChIKeyNOTUPEVLPBDITL-SOWVLMPRSA-N
MW266.75 g/mol
LogP-0.08
Rot. Bonds4

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

trans-(1R,2S)-1-amino-N-cyclopropylsulfonyl-2-ethenylcyclopropane-1-carboxamide;hydrochloride (PubChem CID 23595124) has the molecular formula C9H15ClN2O3S and a molecular weight of 266.75 g/mol. Its IUPAC name is trans-(1R,2S)-1-amino-N-cyclopropylsulfonyl-2-ethenylcyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Nametrans-(1R,2S)-1-amino-N-cyclopropylsulfonyl-2-ethenylcyclopropane-1-carboxamide;hydrochloride
PubChem CID23595124
Molecular FormulaC9H15ClN2O3S
Molecular Weight266.75 g/mol
Exact Mass266.05
IUPAC Nametrans-(1R,2S)-1-amino-N-cyclopropylsulfonyl-2-ethenylcyclopropane-1-carboxamide;hydrochloride
SMILESC=C[C@@H]1C[C@]1(N)C(=O)NS(=O)(=O)C1CC1.Cl
InChIInChI=1S/C9H14N2O3S.ClH/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);1H/t6-,9-;/m1./s1
InChIKeyNOTUPEVLPBDITL-SOWVLMPRSA-N
XLogP-0.08
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.75
LogP ≤ 5-0.08
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;hydrochloride?
The IUPAC name of trans-(1R,2S)-1-amino-N-cyclopropylsulfonyl-2-ethenylcyclopropane-1-carboxamide;hydrochloride (CID 23595124) is trans-(1R,2S)-1-amino-N-cyclopropylsulfonyl-2-ethenylcyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for trans-(1R,2S)-1-amino-N-cyclopropylsulfonyl-2-ethenylcyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for trans-(1R,2S)-1-amino-N-cyclopropylsulfonyl-2-ethenylcyclopropane-1-carboxamide;hydrochloride is C=C[C@@H]1C[C@]1(N)C(=O)NS(=O)(=O)C1CC1.Cl.
What is the InChIKey of trans-(1R,2S)-1-amino-N-cyclopropylsulfonyl-2-ethenylcyclopropane-1-carboxamide;hydrochloride?
The InChIKey is NOTUPEVLPBDITL-SOWVLMPRSA-N. The full InChI is InChI=1S/C9H14N2O3S.ClH/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);1H/t6-,9-;/m1./s1.
What are the key properties of trans-(1R,2S)-1-amino-N-cyclopropylsulfonyl-2-ethenylcyclopropane-1-carboxamide;hydrochloride?
trans-(1R,2S)-1-amino-N-cyclopropylsulfonyl-2-ethenylcyclopropane-1-carboxamide;hydrochloride has a molecular weight of 266.75 g/mol, XLogP of -0.08, 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;hydrochloride is sourced from PubChem (CID 23595124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).