N-tert-butyl-1-prop-2-enylcyclopropane-1-sulfonamide;molecular hydrogen

C10H21NO2S — CID 143671557

IUPACN-tert-butyl-1-prop-2-enylcyclopropane-1-sulfonamide;molecular hydrogen
SMILESC=CCC1(S(=O)(=O)NC(C)(C)C)CC1.[H][H]
InChIInChI=1S/C10H19NO2S.H2/c1-5-6-10(7-8-10)14(12,13)11-9(2,3)4;/h5,11H,1,6-8H2,2-4H3;1H
InChIKeyOMCPVAGSNBEFAJ-UHFFFAOYSA-N
MW219.35 g/mol
LogP2.06
Rot. Bonds4

About N-tert-butyl-1-prop-2-enylcyclopropane-1-sulfonamide;molecular hydrogen

N-tert-butyl-1-prop-2-enylcyclopropane-1-sulfonamide;molecular hydrogen (PubChem CID 143671557) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is N-tert-butyl-1-prop-2-enylcyclopropane-1-sulfonamide;molecular hydrogen.

Molecular Properties

Compound NameN-tert-butyl-1-prop-2-enylcyclopropane-1-sulfonamide;molecular hydrogen
PubChem CID143671557
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC NameN-tert-butyl-1-prop-2-enylcyclopropane-1-sulfonamide;molecular hydrogen
SMILESC=CCC1(S(=O)(=O)NC(C)(C)C)CC1.[H][H]
InChIInChI=1S/C10H19NO2S.H2/c1-5-6-10(7-8-10)14(12,13)11-9(2,3)4;/h5,11H,1,6-8H2,2-4H3;1H
InChIKeyOMCPVAGSNBEFAJ-UHFFFAOYSA-N
XLogP2.06
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N-tert-butyl-1-prop-2-enylcyclopropane-1-sulfonamide;molecular hydrogen?
The IUPAC name of N-tert-butyl-1-prop-2-enylcyclopropane-1-sulfonamide;molecular hydrogen (CID 143671557) is N-tert-butyl-1-prop-2-enylcyclopropane-1-sulfonamide;molecular hydrogen.
What is the SMILES notation for N-tert-butyl-1-prop-2-enylcyclopropane-1-sulfonamide;molecular hydrogen?
The canonical SMILES for N-tert-butyl-1-prop-2-enylcyclopropane-1-sulfonamide;molecular hydrogen is C=CCC1(S(=O)(=O)NC(C)(C)C)CC1.[H][H].
What is the InChIKey of N-tert-butyl-1-prop-2-enylcyclopropane-1-sulfonamide;molecular hydrogen?
The InChIKey is OMCPVAGSNBEFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S.H2/c1-5-6-10(7-8-10)14(12,13)11-9(2,3)4;/h5,11H,1,6-8H2,2-4H3;1H.
What are the key properties of N-tert-butyl-1-prop-2-enylcyclopropane-1-sulfonamide;molecular hydrogen?
N-tert-butyl-1-prop-2-enylcyclopropane-1-sulfonamide;molecular hydrogen has a molecular weight of 219.35 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-prop-2-enylcyclopropane-1-sulfonamide;molecular hydrogen is sourced from PubChem (CID 143671557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).