[(1R,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]carbamic acid

C10H16N2O5S — CID 66896767

IUPAC[(1R,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]carbamic acid
SMILESCC[C@@H]1C[C@]1(NC(=O)O)C(=O)NS(=O)(=O)C1CC1
InChIInChI=1S/C10H16N2O5S/c1-2-6-5-10(6,11-9(14)15)8(13)12-18(16,17)7-3-4-7/h6-7,11H,2-5H2,1H3,(H,12,13)(H,14,15)/t6-,10-/m1/s1
InChIKeyVTPDNRKDHMHECU-LHLIQPBNSA-N
MW276.31 g/mol
LogP0.03
Rot. Bonds5

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

[(1R,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]carbamic acid (PubChem CID 66896767) has the molecular formula C10H16N2O5S and a molecular weight of 276.31 g/mol. Its IUPAC name is [(1R,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]carbamic acid.

Molecular Properties

Compound Name[(1R,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]carbamic acid
PubChem CID66896767
Molecular FormulaC10H16N2O5S
Molecular Weight276.31 g/mol
Exact Mass276.08
IUPAC Name[(1R,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]carbamic acid
SMILESCC[C@@H]1C[C@]1(NC(=O)O)C(=O)NS(=O)(=O)C1CC1
InChIInChI=1S/C10H16N2O5S/c1-2-6-5-10(6,11-9(14)15)8(13)12-18(16,17)7-3-4-7/h6-7,11H,2-5H2,1H3,(H,12,13)(H,14,15)/t6-,10-/m1/s1
InChIKeyVTPDNRKDHMHECU-LHLIQPBNSA-N
XLogP0.03
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]carbamic acid?
The IUPAC name of [(1R,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]carbamic acid (CID 66896767) is [(1R,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]carbamic acid.
What is the SMILES notation for [(1R,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]carbamic acid?
The canonical SMILES for [(1R,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]carbamic acid is CC[C@@H]1C[C@]1(NC(=O)O)C(=O)NS(=O)(=O)C1CC1.
What is the InChIKey of [(1R,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]carbamic acid?
The InChIKey is VTPDNRKDHMHECU-LHLIQPBNSA-N. The full InChI is InChI=1S/C10H16N2O5S/c1-2-6-5-10(6,11-9(14)15)8(13)12-18(16,17)7-3-4-7/h6-7,11H,2-5H2,1H3,(H,12,13)(H,14,15)/t6-,10-/m1/s1.
What are the key properties of [(1R,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]carbamic acid?
[(1R,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]carbamic acid has a molecular weight of 276.31 g/mol, XLogP of 0.03, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]carbamic acid is sourced from PubChem (CID 66896767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).