N-[(2S)-butan-2-yl]-N-(cyclopropylmethyl)propane-2-sulfonamide

C11H23NO2S — CID 146435331

IUPACN-[(2S)-butan-2-yl]-N-(cyclopropylmethyl)propane-2-sulfonamide
SMILESCC[C@H](C)N(CC1CC1)S(=O)(=O)C(C)C
InChIInChI=1S/C11H23NO2S/c1-5-10(4)12(8-11-6-7-11)15(13,14)9(2)3/h9-11H,5-8H2,1-4H3/t10-/m0/s1
InChIKeyZJPPZYHVOIKQFD-JTQLQIEISA-N
MW233.38 g/mol
LogP2.24
Rot. Bonds6

About N-[(2S)-butan-2-yl]-N-(cyclopropylmethyl)propane-2-sulfonamide

N-[(2S)-butan-2-yl]-N-(cyclopropylmethyl)propane-2-sulfonamide (PubChem CID 146435331) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-N-(cyclopropylmethyl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-N-(cyclopropylmethyl)propane-2-sulfonamide
PubChem CID146435331
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC NameN-[(2S)-butan-2-yl]-N-(cyclopropylmethyl)propane-2-sulfonamide
SMILESCC[C@H](C)N(CC1CC1)S(=O)(=O)C(C)C
InChIInChI=1S/C11H23NO2S/c1-5-10(4)12(8-11-6-7-11)15(13,14)9(2)3/h9-11H,5-8H2,1-4H3/t10-/m0/s1
InChIKeyZJPPZYHVOIKQFD-JTQLQIEISA-N
XLogP2.24
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-N-(cyclopropylmethyl)propane-2-sulfonamide?
The IUPAC name of N-[(2S)-butan-2-yl]-N-(cyclopropylmethyl)propane-2-sulfonamide (CID 146435331) is N-[(2S)-butan-2-yl]-N-(cyclopropylmethyl)propane-2-sulfonamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-N-(cyclopropylmethyl)propane-2-sulfonamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-N-(cyclopropylmethyl)propane-2-sulfonamide is CC[C@H](C)N(CC1CC1)S(=O)(=O)C(C)C.
What is the InChIKey of N-[(2S)-butan-2-yl]-N-(cyclopropylmethyl)propane-2-sulfonamide?
The InChIKey is ZJPPZYHVOIKQFD-JTQLQIEISA-N. The full InChI is InChI=1S/C11H23NO2S/c1-5-10(4)12(8-11-6-7-11)15(13,14)9(2)3/h9-11H,5-8H2,1-4H3/t10-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-N-(cyclopropylmethyl)propane-2-sulfonamide?
N-[(2S)-butan-2-yl]-N-(cyclopropylmethyl)propane-2-sulfonamide has a molecular weight of 233.38 g/mol, XLogP of 2.24, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-N-(cyclopropylmethyl)propane-2-sulfonamide is sourced from PubChem (CID 146435331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).