N-[(2S)-butan-2-yl]-N-cyclopropylpropane-2-sulfonamide

C10H21NO2S — CID 156566665

IUPACN-[(2S)-butan-2-yl]-N-cyclopropylpropane-2-sulfonamide
SMILESCC[C@H](C)N(C1CC1)S(=O)(=O)C(C)C
InChIInChI=1S/C10H21NO2S/c1-5-9(4)11(10-6-7-10)14(12,13)8(2)3/h8-10H,5-7H2,1-4H3/t9-/m0/s1
InChIKeyQKPYJTLYEZQXAI-VIFPVBQESA-N
MW219.35 g/mol
LogP1.99
Rot. Bonds5

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

N-[(2S)-butan-2-yl]-N-cyclopropylpropane-2-sulfonamide (PubChem CID 156566665) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-N-cyclopropylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-N-cyclopropylpropane-2-sulfonamide
PubChem CID156566665
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC NameN-[(2S)-butan-2-yl]-N-cyclopropylpropane-2-sulfonamide
SMILESCC[C@H](C)N(C1CC1)S(=O)(=O)C(C)C
InChIInChI=1S/C10H21NO2S/c1-5-9(4)11(10-6-7-10)14(12,13)8(2)3/h8-10H,5-7H2,1-4H3/t9-/m0/s1
InChIKeyQKPYJTLYEZQXAI-VIFPVBQESA-N
XLogP1.99
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.99
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-cyclopropylpropane-2-sulfonamide?
The IUPAC name of N-[(2S)-butan-2-yl]-N-cyclopropylpropane-2-sulfonamide (CID 156566665) is N-[(2S)-butan-2-yl]-N-cyclopropylpropane-2-sulfonamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-N-cyclopropylpropane-2-sulfonamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-N-cyclopropylpropane-2-sulfonamide is CC[C@H](C)N(C1CC1)S(=O)(=O)C(C)C.
What is the InChIKey of N-[(2S)-butan-2-yl]-N-cyclopropylpropane-2-sulfonamide?
The InChIKey is QKPYJTLYEZQXAI-VIFPVBQESA-N. The full InChI is InChI=1S/C10H21NO2S/c1-5-9(4)11(10-6-7-10)14(12,13)8(2)3/h8-10H,5-7H2,1-4H3/t9-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-N-cyclopropylpropane-2-sulfonamide?
N-[(2S)-butan-2-yl]-N-cyclopropylpropane-2-sulfonamide has a molecular weight of 219.35 g/mol, XLogP of 1.99, 5 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-cyclopropylpropane-2-sulfonamide is sourced from PubChem (CID 156566665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).