tert-butylcarbamic acid;1-non-8-enylcyclopropane-1-sulfonamide

C17H34N2O4S — CID 69266724

IUPACtert-butylcarbamic acid;1-non-8-enylcyclopropane-1-sulfonamide
SMILESC=CCCCCCCCC1(S(N)(=O)=O)CC1.CC(C)(C)NC(=O)O
InChIInChI=1S/C12H23NO2S.C5H11NO2/c1-2-3-4-5-6-7-8-9-12(10-11-12)16(13,14)15;1-5(2,3)6-4(7)8/h2H,1,3-11H2,(H2,13,14,15);6H,1-3H3,(H,7,8)
InChIKeyWOQHHJJOBLMDDY-UHFFFAOYSA-N
MW362.54 g/mol
LogP3.78
Rot. Bonds9

About tert-butylcarbamic acid;1-non-8-enylcyclopropane-1-sulfonamide

tert-butylcarbamic acid;1-non-8-enylcyclopropane-1-sulfonamide (PubChem CID 69266724) has the molecular formula C17H34N2O4S and a molecular weight of 362.54 g/mol. Its IUPAC name is tert-butylcarbamic acid;1-non-8-enylcyclopropane-1-sulfonamide.

Molecular Properties

Compound Nametert-butylcarbamic acid;1-non-8-enylcyclopropane-1-sulfonamide
PubChem CID69266724
Molecular FormulaC17H34N2O4S
Molecular Weight362.54 g/mol
Exact Mass362.22
IUPAC Nametert-butylcarbamic acid;1-non-8-enylcyclopropane-1-sulfonamide
SMILESC=CCCCCCCCC1(S(N)(=O)=O)CC1.CC(C)(C)NC(=O)O
InChIInChI=1S/C12H23NO2S.C5H11NO2/c1-2-3-4-5-6-7-8-9-12(10-11-12)16(13,14)15;1-5(2,3)6-4(7)8/h2H,1,3-11H2,(H2,13,14,15);6H,1-3H3,(H,7,8)
InChIKeyWOQHHJJOBLMDDY-UHFFFAOYSA-N
XLogP3.78
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.54
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butylcarbamic acid;1-non-8-enylcyclopropane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butylcarbamic acid;1-(12-oxododecyl)cyclopropane-1-sulfonamide
CID 86645760
tert-butyl-[(1-dec-9-enylcyclopropyl)sulfonylamino]carbamic acid
CID 69266327
1-non-8-enylcyclopropane-1-sulfonic acid
CID 22499269
tert-butylcarbamic acid;1-(cyclobutylmethyl)cyclopropane-1-sulfonamide
CID 69264776
tert-butylcarbamic acid;1-(2-hydroxypropan-2-yl)cyclopropane-1-sulfonamide
CID 69266521
2-ethenyl-N-(1-non-8-enylcyclopropyl)sulfonylcyclopropane-1-carboxamide;N-methyl-1-[(2-methylpropan-2-yl)oxy]ethenamine
CID 143643610
N-tert-butylhex-5-enamide
CID 15640339
4-butyl-1-hept-6-enylcyclohexane-1-carboxylic acid
CID 107007922
2-amino-2-methyldec-9-enoic acid
CID 76833646
(1-hept-6-enylcyclopropyl)methanol;[1-[5-(methylamino)pentyl]cyclopropyl]methanol
CID 142820170
1-hept-6-enyl-3-propylpyrrolidine-3-carboxylic acid
CID 107007842
2-bromo-2-methyltetradec-13-enoic acid
CID 87350164

Frequently Asked Questions

What is the IUPAC name of tert-butylcarbamic acid;1-non-8-enylcyclopropane-1-sulfonamide?
The IUPAC name of tert-butylcarbamic acid;1-non-8-enylcyclopropane-1-sulfonamide (CID 69266724) is tert-butylcarbamic acid;1-non-8-enylcyclopropane-1-sulfonamide.
What is the SMILES notation for tert-butylcarbamic acid;1-non-8-enylcyclopropane-1-sulfonamide?
The canonical SMILES for tert-butylcarbamic acid;1-non-8-enylcyclopropane-1-sulfonamide is C=CCCCCCCCC1(S(N)(=O)=O)CC1.CC(C)(C)NC(=O)O.
What is the InChIKey of tert-butylcarbamic acid;1-non-8-enylcyclopropane-1-sulfonamide?
The InChIKey is WOQHHJJOBLMDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2S.C5H11NO2/c1-2-3-4-5-6-7-8-9-12(10-11-12)16(13,14)15;1-5(2,3)6-4(7)8/h2H,1,3-11H2,(H2,13,14,15);6H,1-3H3,(H,7,8).
What are the key properties of tert-butylcarbamic acid;1-non-8-enylcyclopropane-1-sulfonamide?
tert-butylcarbamic acid;1-non-8-enylcyclopropane-1-sulfonamide has a molecular weight of 362.54 g/mol, XLogP of 3.78, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylcarbamic acid;1-non-8-enylcyclopropane-1-sulfonamide is sourced from PubChem (CID 69266724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).