N-(cyclopropylmethyl)-N-[(2R)-1-hydroxypentan-2-yl]-2-methylpropane-2-sulfonamide

C13H27NO3S — CID 146435358

IUPACN-(cyclopropylmethyl)-N-[(2R)-1-hydroxypentan-2-yl]-2-methylpropane-2-sulfonamide
SMILESCCC[C@H](CO)N(CC1CC1)S(=O)(=O)C(C)(C)C
InChIInChI=1S/C13H27NO3S/c1-5-6-12(10-15)14(9-11-7-8-11)18(16,17)13(2,3)4/h11-12,15H,5-10H2,1-4H3/t12-/m1/s1
InChIKeyGJVNVYAUMGMQJM-GFCCVEGCSA-N
MW277.43 g/mol
LogP1.99
Rot. Bonds7

About N-(cyclopropylmethyl)-N-[(2R)-1-hydroxypentan-2-yl]-2-methylpropane-2-sulfonamide

N-(cyclopropylmethyl)-N-[(2R)-1-hydroxypentan-2-yl]-2-methylpropane-2-sulfonamide (PubChem CID 146435358) has the molecular formula C13H27NO3S and a molecular weight of 277.43 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[(2R)-1-hydroxypentan-2-yl]-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-[(2R)-1-hydroxypentan-2-yl]-2-methylpropane-2-sulfonamide
PubChem CID146435358
Molecular FormulaC13H27NO3S
Molecular Weight277.43 g/mol
Exact Mass277.17
IUPAC NameN-(cyclopropylmethyl)-N-[(2R)-1-hydroxypentan-2-yl]-2-methylpropane-2-sulfonamide
SMILESCCC[C@H](CO)N(CC1CC1)S(=O)(=O)C(C)(C)C
InChIInChI=1S/C13H27NO3S/c1-5-6-12(10-15)14(9-11-7-8-11)18(16,17)13(2,3)4/h11-12,15H,5-10H2,1-4H3/t12-/m1/s1
InChIKeyGJVNVYAUMGMQJM-GFCCVEGCSA-N
XLogP1.99
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopropylmethyl)-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]-2-methylpropane-2-sulfonamide
CID 153298749
N-(cyclopropylmethyl)-N-[(2R)-1-hydroxy-5-methylhexan-2-yl]propane-2-sulfonamide
CID 153306604
N-(cyclopropylmethyl)-N-propan-2-ylethanesulfonamide
CID 63738150
N-cyclopropyl-2-methyl-N-[(2S)-pentan-2-yl]propane-2-sulfonamide
CID 166767239
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-[(2S)-1-hydroxybutan-2-yl]formamide
CID 156566585
N-(cyclopropylmethyl)-N-[(2S)-1-hydroxybutan-2-yl]acetamide
CID 126671090
N-(cyclopropylmethyl)-N-[(2R)-5-methylhexan-2-yl]methanesulfonamide
CID 170081112
N-(cyclopropylmethyl)-N-[(2R)-1-hydroxybutan-2-yl]acetamide
CID 126671095
1-N-tert-butyl-2-N-cyclopropyl-2-N-(cyclopropylmethyl)pentane-1,2-diamine
CID 83054704
[pent-4-en-2-yl(sulfamoyl)amino]methylcyclopropane
CID 166665809
2-N-(cyclopropylmethyl)-1-N,2-N-dimethylpentane-1,2-diamine
CID 83054183

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-[(2R)-1-hydroxypentan-2-yl]-2-methylpropane-2-sulfonamide?
The IUPAC name of N-(cyclopropylmethyl)-N-[(2R)-1-hydroxypentan-2-yl]-2-methylpropane-2-sulfonamide (CID 146435358) is N-(cyclopropylmethyl)-N-[(2R)-1-hydroxypentan-2-yl]-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-[(2R)-1-hydroxypentan-2-yl]-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-[(2R)-1-hydroxypentan-2-yl]-2-methylpropane-2-sulfonamide is CCC[C@H](CO)N(CC1CC1)S(=O)(=O)C(C)(C)C.
What is the InChIKey of N-(cyclopropylmethyl)-N-[(2R)-1-hydroxypentan-2-yl]-2-methylpropane-2-sulfonamide?
The InChIKey is GJVNVYAUMGMQJM-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H27NO3S/c1-5-6-12(10-15)14(9-11-7-8-11)18(16,17)13(2,3)4/h11-12,15H,5-10H2,1-4H3/t12-/m1/s1.
What are the key properties of N-(cyclopropylmethyl)-N-[(2R)-1-hydroxypentan-2-yl]-2-methylpropane-2-sulfonamide?
N-(cyclopropylmethyl)-N-[(2R)-1-hydroxypentan-2-yl]-2-methylpropane-2-sulfonamide has a molecular weight of 277.43 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-[(2R)-1-hydroxypentan-2-yl]-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 146435358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).