[(1R,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]azanium

C9H17N2O3S+ — CID 140594460

IUPAC[(1R,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]azanium
SMILESCC[C@@H]1C[C@]1([NH3+])C(=O)NS(=O)(=O)C1CC1
InChIInChI=1S/C9H16N2O3S/c1-2-6-5-9(6,10)8(12)11-15(13,14)7-3-4-7/h6-7H,2-5,10H2,1H3,(H,11,12)/p+1/t6-,9-/m1/s1
InChIKeyUQGYWTZWNMUWOT-HZGVNTEJSA-O
MW233.31 g/mol
LogP-0.99
Rot. Bonds4

About [(1R,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]azanium

[(1R,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]azanium (PubChem CID 140594460) has the molecular formula C9H17N2O3S+ and a molecular weight of 233.31 g/mol. Its IUPAC name is [(1R,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]azanium.

Molecular Properties

Compound Name[(1R,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]azanium
PubChem CID140594460
Molecular FormulaC9H17N2O3S+
Molecular Weight233.31 g/mol
Exact Mass233.10
IUPAC Name[(1R,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]azanium
SMILESCC[C@@H]1C[C@]1([NH3+])C(=O)NS(=O)(=O)C1CC1
InChIInChI=1S/C9H16N2O3S/c1-2-6-5-9(6,10)8(12)11-15(13,14)7-3-4-7/h6-7H,2-5,10H2,1H3,(H,11,12)/p+1/t6-,9-/m1/s1
InChIKeyUQGYWTZWNMUWOT-HZGVNTEJSA-O
XLogP-0.99
TPSA90.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 5-0.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(1R,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]carbamic acid
CID 66896767
(1S,4S)-N-cyclopropylsulfonylbicyclo[2.1.0]pentane-1-carboxamide
CID 163877486
cis-methyl (1S,2S)-2-ethenyl-1-methylcyclopropane-1-carboxylate;cis-methyl (1S,2R)-2-ethyl-1-methylcyclopropane-1-carboxylate;methane;trans-(1R,2R)-1-amino-N-cyclopropylsulfonyl-2-ethylcyclopropane-1-carboxamide;hydrochloride
CID 161413470
4-(aminomethyl)-N-cyclopropylsulfonyloxane-4-carboxamide
CID 103308370
2-(aminomethyl)-N-cyclopropylsulfonylpentanamide
CID 103308238
N-cyclopropylsulfonyl-2-(ethylamino)-2-methylpropanamide
CID 103308406
[1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]carbamic acid;hydrochloride
CID 67068429
(1R,2R,4S)-1-N-[(1R,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]-2-N-hex-5-enyl-4-hydroxy-2-N-methylcyclopentane-1,2-dicarboxamide
CID 89069414
3-amino-N-cyclopropylsulfonylpentanamide
CID 103308447
N-cyclopropylsulfonyl-3-(methylamino)propanamide
CID 103308490
N-cyclopropylsulfonyl-4-ethylpiperidine-2-carboxamide
CID 103308466
1-cyclopropylsulfonyl-3-propan-2-ylurea
CID 130380279

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]azanium?
The IUPAC name of [(1R,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]azanium (CID 140594460) is [(1R,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]azanium.
What is the SMILES notation for [(1R,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]azanium?
The canonical SMILES for [(1R,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]azanium is CC[C@@H]1C[C@]1([NH3+])C(=O)NS(=O)(=O)C1CC1.
What is the InChIKey of [(1R,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]azanium?
The InChIKey is UQGYWTZWNMUWOT-HZGVNTEJSA-O. The full InChI is InChI=1S/C9H16N2O3S/c1-2-6-5-9(6,10)8(12)11-15(13,14)7-3-4-7/h6-7H,2-5,10H2,1H3,(H,11,12)/p+1/t6-,9-/m1/s1.
What are the key properties of [(1R,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]azanium?
[(1R,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]azanium has a molecular weight of 233.31 g/mol, XLogP of -0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]azanium is sourced from PubChem (CID 140594460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).