tert-butylcarbamic acid;1-(cyclobutylmethyl)cyclopropane-1-sulfonamide

C13H26N2O4S — CID 69264776

IUPACtert-butylcarbamic acid;1-(cyclobutylmethyl)cyclopropane-1-sulfonamide
SMILESCC(C)(C)NC(=O)O.NS(=O)(=O)C1(CC2CCC2)CC1
InChIInChI=1S/C8H15NO2S.C5H11NO2/c9-12(10,11)8(4-5-8)6-7-2-1-3-7;1-5(2,3)6-4(7)8/h7H,1-6H2,(H2,9,10,11);6H,1-3H3,(H,7,8)
InChIKeyALDPOAVCNOCLER-UHFFFAOYSA-N
MW306.43 g/mol
LogP2.05
Rot. Bonds3

About tert-butylcarbamic acid;1-(cyclobutylmethyl)cyclopropane-1-sulfonamide

tert-butylcarbamic acid;1-(cyclobutylmethyl)cyclopropane-1-sulfonamide (PubChem CID 69264776) has the molecular formula C13H26N2O4S and a molecular weight of 306.43 g/mol. Its IUPAC name is tert-butylcarbamic acid;1-(cyclobutylmethyl)cyclopropane-1-sulfonamide.

Molecular Properties

Compound Nametert-butylcarbamic acid;1-(cyclobutylmethyl)cyclopropane-1-sulfonamide
PubChem CID69264776
Molecular FormulaC13H26N2O4S
Molecular Weight306.43 g/mol
Exact Mass306.16
IUPAC Nametert-butylcarbamic acid;1-(cyclobutylmethyl)cyclopropane-1-sulfonamide
SMILESCC(C)(C)NC(=O)O.NS(=O)(=O)C1(CC2CCC2)CC1
InChIInChI=1S/C8H15NO2S.C5H11NO2/c9-12(10,11)8(4-5-8)6-7-2-1-3-7;1-5(2,3)6-4(7)8/h7H,1-6H2,(H2,9,10,11);6H,1-3H3,(H,7,8)
InChIKeyALDPOAVCNOCLER-UHFFFAOYSA-N
XLogP2.05
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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1-[(2R)-1-(tert-butylamino)-3-cyclopentyl-1-oxopropan-2-yl]cyclohexane-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of tert-butylcarbamic acid;1-(cyclobutylmethyl)cyclopropane-1-sulfonamide?
The IUPAC name of tert-butylcarbamic acid;1-(cyclobutylmethyl)cyclopropane-1-sulfonamide (CID 69264776) is tert-butylcarbamic acid;1-(cyclobutylmethyl)cyclopropane-1-sulfonamide.
What is the SMILES notation for tert-butylcarbamic acid;1-(cyclobutylmethyl)cyclopropane-1-sulfonamide?
The canonical SMILES for tert-butylcarbamic acid;1-(cyclobutylmethyl)cyclopropane-1-sulfonamide is CC(C)(C)NC(=O)O.NS(=O)(=O)C1(CC2CCC2)CC1.
What is the InChIKey of tert-butylcarbamic acid;1-(cyclobutylmethyl)cyclopropane-1-sulfonamide?
The InChIKey is ALDPOAVCNOCLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2S.C5H11NO2/c9-12(10,11)8(4-5-8)6-7-2-1-3-7;1-5(2,3)6-4(7)8/h7H,1-6H2,(H2,9,10,11);6H,1-3H3,(H,7,8).
What are the key properties of tert-butylcarbamic acid;1-(cyclobutylmethyl)cyclopropane-1-sulfonamide?
tert-butylcarbamic acid;1-(cyclobutylmethyl)cyclopropane-1-sulfonamide has a molecular weight of 306.43 g/mol, XLogP of 2.05, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylcarbamic acid;1-(cyclobutylmethyl)cyclopropane-1-sulfonamide is sourced from PubChem (CID 69264776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).