N-cyclopropyl-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]propane-2-sulfonamide

C12H25NO3S — CID 153298656

IUPACN-cyclopropyl-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]propane-2-sulfonamide
SMILESCC(C)C[C@@H](CO)N(C1CC1)S(=O)(=O)C(C)C
InChIInChI=1S/C12H25NO3S/c1-9(2)7-12(8-14)13(11-5-6-11)17(15,16)10(3)4/h9-12,14H,5-8H2,1-4H3/t12-/m0/s1
InChIKeyGTEXHTAZZAJRFJ-LBPRGKRZSA-N
MW263.40 g/mol
LogP1.60
Rot. Bonds7

About N-cyclopropyl-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]propane-2-sulfonamide

N-cyclopropyl-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]propane-2-sulfonamide (PubChem CID 153298656) has the molecular formula C12H25NO3S and a molecular weight of 263.40 g/mol. Its IUPAC name is N-cyclopropyl-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]propane-2-sulfonamide
PubChem CID153298656
Molecular FormulaC12H25NO3S
Molecular Weight263.40 g/mol
Exact Mass263.16
IUPAC NameN-cyclopropyl-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]propane-2-sulfonamide
SMILESCC(C)C[C@@H](CO)N(C1CC1)S(=O)(=O)C(C)C
InChIInChI=1S/C12H25NO3S/c1-9(2)7-12(8-14)13(11-5-6-11)17(15,16)10(3)4/h9-12,14H,5-8H2,1-4H3/t12-/m0/s1
InChIKeyGTEXHTAZZAJRFJ-LBPRGKRZSA-N
XLogP1.60
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-N-[(2R)-1-hydroxybutan-2-yl]propane-2-sulfonamide
CID 166767108
7-[tert-butylsulfonyl(cyclopropylmethyl)amino]-N-cyclopropyl-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]-2,5-dimethylheptane-2-sulfonamide
CID 170080785
N-(cyclopropylmethyl)-N-[(2R)-1-hydroxy-5-methylhexan-2-yl]propane-2-sulfonamide
CID 153306604
N-(cyclopropylmethyl)-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]-2-methylpropane-2-sulfonamide
CID 153298749
N-[4-(2-hydroxyethyl)cyclohexyl]-N-methylpropane-2-sulfonamide
CID 116817251
N-cyclobutyl-N-(2-hydroxyethyl)propane-2-sulfonamide
CID 102675881
[(1-hydroxy-4-methylpentan-2-yl)sulfamoyl-methylamino]cyclohexane
CID 61247247
N-(4-hydroxycyclohexyl)-N-methylpropane-2-sulfonamide
CID 115277390
2-[hydroxymethyl(2-methylsulfonylethyl)amino]-4-methylpentan-1-ol
CID 174108431
N-(2-chloroethyl)-N-cyclopropylpropane-2-sulfonamide
CID 63397229
N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)propane-2-sulfonamide
CID 64584958
1-hydroxy-2-[2-hydroxyethyl-(1-hydroxy-4-methylpentan-2-yl)amino]ethanesulfonic acid
CID 167409200

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]propane-2-sulfonamide?
The IUPAC name of N-cyclopropyl-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]propane-2-sulfonamide (CID 153298656) is N-cyclopropyl-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]propane-2-sulfonamide.
What is the SMILES notation for N-cyclopropyl-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]propane-2-sulfonamide?
The canonical SMILES for N-cyclopropyl-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]propane-2-sulfonamide is CC(C)C[C@@H](CO)N(C1CC1)S(=O)(=O)C(C)C.
What is the InChIKey of N-cyclopropyl-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]propane-2-sulfonamide?
The InChIKey is GTEXHTAZZAJRFJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H25NO3S/c1-9(2)7-12(8-14)13(11-5-6-11)17(15,16)10(3)4/h9-12,14H,5-8H2,1-4H3/t12-/m0/s1.
What are the key properties of N-cyclopropyl-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]propane-2-sulfonamide?
N-cyclopropyl-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]propane-2-sulfonamide has a molecular weight of 263.40 g/mol, XLogP of 1.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]propane-2-sulfonamide is sourced from PubChem (CID 153298656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).