azanium;cis-(1R,2S)-N-cyclopropylsulfonyl-2-ethenylcyclopropane-1-carboxamide;chloride

C9H17ClN2O3S — CID 159200705

IUPACazanium;cis-(1R,2S)-N-cyclopropylsulfonyl-2-ethenylcyclopropane-1-carboxamide;chloride
SMILESC=C[C@@H]1C[C@H]1C(=O)NS(=O)(=O)C1CC1.[Cl-].[NH4+]
InChIInChI=1S/C9H13NO3S.ClH.H3N/c1-2-6-5-8(6)9(11)10-14(12,13)7-3-4-7;;/h2,6-8H,1,3-5H2,(H,10,11);1H;1H3/t6-,8-;;/m1../s1
InChIKeyPHBARPSGFPUGML-QGTMZHJHSA-N
MW268.77 g/mol
LogP-2.20
Rot. Bonds4

About azanium;cis-(1R,2S)-N-cyclopropylsulfonyl-2-ethenylcyclopropane-1-carboxamide;chloride

azanium;cis-(1R,2S)-N-cyclopropylsulfonyl-2-ethenylcyclopropane-1-carboxamide;chloride (PubChem CID 159200705) has the molecular formula C9H17ClN2O3S and a molecular weight of 268.77 g/mol. Its IUPAC name is azanium;cis-(1R,2S)-N-cyclopropylsulfonyl-2-ethenylcyclopropane-1-carboxamide;chloride.

Molecular Properties

Compound Nameazanium;cis-(1R,2S)-N-cyclopropylsulfonyl-2-ethenylcyclopropane-1-carboxamide;chloride
PubChem CID159200705
Molecular FormulaC9H17ClN2O3S
Molecular Weight268.77 g/mol
Exact Mass268.06
IUPAC Nameazanium;cis-(1R,2S)-N-cyclopropylsulfonyl-2-ethenylcyclopropane-1-carboxamide;chloride
SMILESC=C[C@@H]1C[C@H]1C(=O)NS(=O)(=O)C1CC1.[Cl-].[NH4+]
InChIInChI=1S/C9H13NO3S.ClH.H3N/c1-2-6-5-8(6)9(11)10-14(12,13)7-3-4-7;;/h2,6-8H,1,3-5H2,(H,10,11);1H;1H3/t6-,8-;;/m1../s1
InChIKeyPHBARPSGFPUGML-QGTMZHJHSA-N
XLogP-2.20
TPSA99.74 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.77
LogP ≤ 5-2.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethenyl-N-methylsulfinylcyclopropane-1-carboxamide
CID 142833508
2-(aminomethyl)-N-cyclopropylsulfonylcyclopentane-1-carboxamide
CID 103308242
methyl (1R)-2-ethenylcyclopropane-1-carboxylate
CID 175542907
[1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]carbamic acid;hydrochloride
CID 67068429
2-ethenyl-N-(1-non-8-enylcyclopropyl)sulfonylcyclopropane-1-carboxamide;N-methyl-1-[(2-methylpropan-2-yl)oxy]ethenamine
CID 143643610
cis-(1R,2S)-2-ethenylcyclobutane-1-carboxylic acid
CID 12721336
carbonic acid;methyl 2-ethenylcyclopropane-1-carboxylate
CID 66957945
N-cyclopropylsulfonylazepane-2-carboxamide
CID 103308651
(Z)-4-(cyclopropylsulfonylamino)-3-hydroxy-4-oxobut-2-enoic acid
CID 54713735
N-cyclopropylsulfonyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 103308332
amino 2-ethenylcyclopropane-1-carboxylate
CID 18621557
N-[1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]-4-hydroxypyrrolidine-2-carboxamide
CID 23595529

Frequently Asked Questions

What is the IUPAC name of azanium;cis-(1R,2S)-N-cyclopropylsulfonyl-2-ethenylcyclopropane-1-carboxamide;chloride?
The IUPAC name of azanium;cis-(1R,2S)-N-cyclopropylsulfonyl-2-ethenylcyclopropane-1-carboxamide;chloride (CID 159200705) is azanium;cis-(1R,2S)-N-cyclopropylsulfonyl-2-ethenylcyclopropane-1-carboxamide;chloride.
What is the SMILES notation for azanium;cis-(1R,2S)-N-cyclopropylsulfonyl-2-ethenylcyclopropane-1-carboxamide;chloride?
The canonical SMILES for azanium;cis-(1R,2S)-N-cyclopropylsulfonyl-2-ethenylcyclopropane-1-carboxamide;chloride is C=C[C@@H]1C[C@H]1C(=O)NS(=O)(=O)C1CC1.[Cl-].[NH4+].
What is the InChIKey of azanium;cis-(1R,2S)-N-cyclopropylsulfonyl-2-ethenylcyclopropane-1-carboxamide;chloride?
The InChIKey is PHBARPSGFPUGML-QGTMZHJHSA-N. The full InChI is InChI=1S/C9H13NO3S.ClH.H3N/c1-2-6-5-8(6)9(11)10-14(12,13)7-3-4-7;;/h2,6-8H,1,3-5H2,(H,10,11);1H;1H3/t6-,8-;;/m1../s1.
What are the key properties of azanium;cis-(1R,2S)-N-cyclopropylsulfonyl-2-ethenylcyclopropane-1-carboxamide;chloride?
azanium;cis-(1R,2S)-N-cyclopropylsulfonyl-2-ethenylcyclopropane-1-carboxamide;chloride has a molecular weight of 268.77 g/mol, XLogP of -2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azanium;cis-(1R,2S)-N-cyclopropylsulfonyl-2-ethenylcyclopropane-1-carboxamide;chloride is sourced from PubChem (CID 159200705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).