N-[(2R)-3,3-dimethylbutan-2-yl]propane-1-sulfonamide

C9H21NO2S — CID 134559086

IUPACN-[(2R)-3,3-dimethylbutan-2-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)N[C@H](C)C(C)(C)C
InChIInChI=1S/C9H21NO2S/c1-6-7-13(11,12)10-8(2)9(3,4)5/h8,10H,6-7H2,1-5H3/t8-/m1/s1
InChIKeySXVRKRLSHQYGSS-MRVPVSSYSA-N
MW207.34 g/mol
LogP1.75
Rot. Bonds4

About N-[(2R)-3,3-dimethylbutan-2-yl]propane-1-sulfonamide

N-[(2R)-3,3-dimethylbutan-2-yl]propane-1-sulfonamide (PubChem CID 134559086) has the molecular formula C9H21NO2S and a molecular weight of 207.34 g/mol. Its IUPAC name is N-[(2R)-3,3-dimethylbutan-2-yl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[(2R)-3,3-dimethylbutan-2-yl]propane-1-sulfonamide
PubChem CID134559086
Molecular FormulaC9H21NO2S
Molecular Weight207.34 g/mol
Exact Mass207.13
IUPAC NameN-[(2R)-3,3-dimethylbutan-2-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)N[C@H](C)C(C)(C)C
InChIInChI=1S/C9H21NO2S/c1-6-7-13(11,12)10-8(2)9(3,4)5/h8,10H,6-7H2,1-5H3/t8-/m1/s1
InChIKeySXVRKRLSHQYGSS-MRVPVSSYSA-N
XLogP1.75
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3,3-dimethylbutan-2-yl]propane-1-sulfonamide?
The IUPAC name of N-[(2R)-3,3-dimethylbutan-2-yl]propane-1-sulfonamide (CID 134559086) is N-[(2R)-3,3-dimethylbutan-2-yl]propane-1-sulfonamide.
What is the SMILES notation for N-[(2R)-3,3-dimethylbutan-2-yl]propane-1-sulfonamide?
The canonical SMILES for N-[(2R)-3,3-dimethylbutan-2-yl]propane-1-sulfonamide is CCCS(=O)(=O)N[C@H](C)C(C)(C)C.
What is the InChIKey of N-[(2R)-3,3-dimethylbutan-2-yl]propane-1-sulfonamide?
The InChIKey is SXVRKRLSHQYGSS-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H21NO2S/c1-6-7-13(11,12)10-8(2)9(3,4)5/h8,10H,6-7H2,1-5H3/t8-/m1/s1.
What are the key properties of N-[(2R)-3,3-dimethylbutan-2-yl]propane-1-sulfonamide?
N-[(2R)-3,3-dimethylbutan-2-yl]propane-1-sulfonamide has a molecular weight of 207.34 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3,3-dimethylbutan-2-yl]propane-1-sulfonamide is sourced from PubChem (CID 134559086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).