tert-butyl-[(1-dec-9-enylcyclopropyl)sulfonylamino]carbamic acid

C18H34N2O4S — CID 69266327

IUPACtert-butyl-[(1-dec-9-enylcyclopropyl)sulfonylamino]carbamic acid
SMILESC=CCCCCCCCCC1(S(=O)(=O)NN(C(=O)O)C(C)(C)C)CC1
InChIInChI=1S/C18H34N2O4S/c1-5-6-7-8-9-10-11-12-13-18(14-15-18)25(23,24)19-20(16(21)22)17(2,3)4/h5,19H,1,6-15H2,2-4H3,(H,21,22)
InChIKeyCRLYRBDICVICRZ-UHFFFAOYSA-N
MW374.55 g/mol
LogP4.44
Rot. Bonds12

About tert-butyl-[(1-dec-9-enylcyclopropyl)sulfonylamino]carbamic acid

tert-butyl-[(1-dec-9-enylcyclopropyl)sulfonylamino]carbamic acid (PubChem CID 69266327) has the molecular formula C18H34N2O4S and a molecular weight of 374.55 g/mol. Its IUPAC name is tert-butyl-[(1-dec-9-enylcyclopropyl)sulfonylamino]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[(1-dec-9-enylcyclopropyl)sulfonylamino]carbamic acid
PubChem CID69266327
Molecular FormulaC18H34N2O4S
Molecular Weight374.55 g/mol
Exact Mass374.22
IUPAC Nametert-butyl-[(1-dec-9-enylcyclopropyl)sulfonylamino]carbamic acid
SMILESC=CCCCCCCCCC1(S(=O)(=O)NN(C(=O)O)C(C)(C)C)CC1
InChIInChI=1S/C18H34N2O4S/c1-5-6-7-8-9-10-11-12-13-18(14-15-18)25(23,24)19-20(16(21)22)17(2,3)4/h5,19H,1,6-15H2,2-4H3,(H,21,22)
InChIKeyCRLYRBDICVICRZ-UHFFFAOYSA-N
XLogP4.44
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.55
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1-dec-9-enylcyclopropyl)sulfonylamino]carbamic acid?
The IUPAC name of tert-butyl-[(1-dec-9-enylcyclopropyl)sulfonylamino]carbamic acid (CID 69266327) is tert-butyl-[(1-dec-9-enylcyclopropyl)sulfonylamino]carbamic acid.
What is the SMILES notation for tert-butyl-[(1-dec-9-enylcyclopropyl)sulfonylamino]carbamic acid?
The canonical SMILES for tert-butyl-[(1-dec-9-enylcyclopropyl)sulfonylamino]carbamic acid is C=CCCCCCCCCC1(S(=O)(=O)NN(C(=O)O)C(C)(C)C)CC1.
What is the InChIKey of tert-butyl-[(1-dec-9-enylcyclopropyl)sulfonylamino]carbamic acid?
The InChIKey is CRLYRBDICVICRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O4S/c1-5-6-7-8-9-10-11-12-13-18(14-15-18)25(23,24)19-20(16(21)22)17(2,3)4/h5,19H,1,6-15H2,2-4H3,(H,21,22).
What are the key properties of tert-butyl-[(1-dec-9-enylcyclopropyl)sulfonylamino]carbamic acid?
tert-butyl-[(1-dec-9-enylcyclopropyl)sulfonylamino]carbamic acid has a molecular weight of 374.55 g/mol, XLogP of 4.44, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1-dec-9-enylcyclopropyl)sulfonylamino]carbamic acid is sourced from PubChem (CID 69266327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).