N-(3-methylbutan-2-yl)propane-2-sulfonamide

C8H19NO2S — CID 61362638

IUPACN-(3-methylbutan-2-yl)propane-2-sulfonamide
SMILESCC(C)C(C)NS(=O)(=O)C(C)C
InChIInChI=1S/C8H19NO2S/c1-6(2)8(5)9-12(10,11)7(3)4/h6-9H,1-5H3
InChIKeyMUKXHSDLQVRTLS-UHFFFAOYSA-N
MW193.31 g/mol
LogP1.36
Rot. Bonds4

About N-(3-methylbutan-2-yl)propane-2-sulfonamide

N-(3-methylbutan-2-yl)propane-2-sulfonamide (PubChem CID 61362638) has the molecular formula C8H19NO2S and a molecular weight of 193.31 g/mol. Its IUPAC name is N-(3-methylbutan-2-yl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(3-methylbutan-2-yl)propane-2-sulfonamide
PubChem CID61362638
Molecular FormulaC8H19NO2S
Molecular Weight193.31 g/mol
Exact Mass193.11
IUPAC NameN-(3-methylbutan-2-yl)propane-2-sulfonamide
SMILESCC(C)C(C)NS(=O)(=O)C(C)C
InChIInChI=1S/C8H19NO2S/c1-6(2)8(5)9-12(10,11)7(3)4/h6-9H,1-5H3
InChIKeyMUKXHSDLQVRTLS-UHFFFAOYSA-N
XLogP1.36
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 71931402
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CID 87159546
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CID 137470800
CID 137470800
CID 173808830
CID 173808830
CID 173983735
CID 173983735
CID 15416329
CID 15416329
CID 134955164
CID 134955164
CID 135005486
CID 135005486
CID 165565222
CID 165565222
CID 61361229
CID 61361229

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutan-2-yl)propane-2-sulfonamide?
The IUPAC name of N-(3-methylbutan-2-yl)propane-2-sulfonamide (CID 61362638) is N-(3-methylbutan-2-yl)propane-2-sulfonamide.
What is the SMILES notation for N-(3-methylbutan-2-yl)propane-2-sulfonamide?
The canonical SMILES for N-(3-methylbutan-2-yl)propane-2-sulfonamide is CC(C)C(C)NS(=O)(=O)C(C)C.
What is the InChIKey of N-(3-methylbutan-2-yl)propane-2-sulfonamide?
The InChIKey is MUKXHSDLQVRTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2S/c1-6(2)8(5)9-12(10,11)7(3)4/h6-9H,1-5H3.
What are the key properties of N-(3-methylbutan-2-yl)propane-2-sulfonamide?
N-(3-methylbutan-2-yl)propane-2-sulfonamide has a molecular weight of 193.31 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutan-2-yl)propane-2-sulfonamide is sourced from PubChem (CID 61362638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).