N-cyclopropyl-N-[(2S)-4-methylpentan-2-yl]propane-2-sulfonamide

C12H25NO2S — CID 146435604

IUPACN-cyclopropyl-N-[(2S)-4-methylpentan-2-yl]propane-2-sulfonamide
SMILESCC(C)C[C@H](C)N(C1CC1)S(=O)(=O)C(C)C
InChIInChI=1S/C12H25NO2S/c1-9(2)8-11(5)13(12-6-7-12)16(14,15)10(3)4/h9-12H,6-8H2,1-5H3/t11-/m0/s1
InChIKeyZDSYGLINPCRVQX-NSHDSACASA-N
MW247.40 g/mol
LogP2.62
Rot. Bonds6

About N-cyclopropyl-N-[(2S)-4-methylpentan-2-yl]propane-2-sulfonamide

N-cyclopropyl-N-[(2S)-4-methylpentan-2-yl]propane-2-sulfonamide (PubChem CID 146435604) has the molecular formula C12H25NO2S and a molecular weight of 247.40 g/mol. Its IUPAC name is N-cyclopropyl-N-[(2S)-4-methylpentan-2-yl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(2S)-4-methylpentan-2-yl]propane-2-sulfonamide
PubChem CID146435604
Molecular FormulaC12H25NO2S
Molecular Weight247.40 g/mol
Exact Mass247.16
IUPAC NameN-cyclopropyl-N-[(2S)-4-methylpentan-2-yl]propane-2-sulfonamide
SMILESCC(C)C[C@H](C)N(C1CC1)S(=O)(=O)C(C)C
InChIInChI=1S/C12H25NO2S/c1-9(2)8-11(5)13(12-6-7-12)16(14,15)10(3)4/h9-12H,6-8H2,1-5H3/t11-/m0/s1
InChIKeyZDSYGLINPCRVQX-NSHDSACASA-N
XLogP2.62
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.40
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(2S)-4-methylpentan-2-yl]propane-2-sulfonamide?
The IUPAC name of N-cyclopropyl-N-[(2S)-4-methylpentan-2-yl]propane-2-sulfonamide (CID 146435604) is N-cyclopropyl-N-[(2S)-4-methylpentan-2-yl]propane-2-sulfonamide.
What is the SMILES notation for N-cyclopropyl-N-[(2S)-4-methylpentan-2-yl]propane-2-sulfonamide?
The canonical SMILES for N-cyclopropyl-N-[(2S)-4-methylpentan-2-yl]propane-2-sulfonamide is CC(C)C[C@H](C)N(C1CC1)S(=O)(=O)C(C)C.
What is the InChIKey of N-cyclopropyl-N-[(2S)-4-methylpentan-2-yl]propane-2-sulfonamide?
The InChIKey is ZDSYGLINPCRVQX-NSHDSACASA-N. The full InChI is InChI=1S/C12H25NO2S/c1-9(2)8-11(5)13(12-6-7-12)16(14,15)10(3)4/h9-12H,6-8H2,1-5H3/t11-/m0/s1.
What are the key properties of N-cyclopropyl-N-[(2S)-4-methylpentan-2-yl]propane-2-sulfonamide?
N-cyclopropyl-N-[(2S)-4-methylpentan-2-yl]propane-2-sulfonamide has a molecular weight of 247.40 g/mol, XLogP of 2.62, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(2S)-4-methylpentan-2-yl]propane-2-sulfonamide is sourced from PubChem (CID 146435604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).