N-cyclopropyl-N-[(2R)-1-hydroxypentan-2-yl]methanesulfonamide

C9H19NO3S — CID 156566683

IUPACN-cyclopropyl-N-[(2R)-1-hydroxypentan-2-yl]methanesulfonamide
SMILESCCC[C@H](CO)N(C1CC1)S(C)(=O)=O
InChIInChI=1S/C9H19NO3S/c1-3-4-9(7-11)10(8-5-6-8)14(2,12)13/h8-9,11H,3-7H2,1-2H3/t9-/m1/s1
InChIKeyNGKFZZJRJKFLPK-SECBINFHSA-N
MW221.32 g/mol
LogP0.57
Rot. Bonds6

About N-cyclopropyl-N-[(2R)-1-hydroxypentan-2-yl]methanesulfonamide

N-cyclopropyl-N-[(2R)-1-hydroxypentan-2-yl]methanesulfonamide (PubChem CID 156566683) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is N-cyclopropyl-N-[(2R)-1-hydroxypentan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(2R)-1-hydroxypentan-2-yl]methanesulfonamide
PubChem CID156566683
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC NameN-cyclopropyl-N-[(2R)-1-hydroxypentan-2-yl]methanesulfonamide
SMILESCCC[C@H](CO)N(C1CC1)S(C)(=O)=O
InChIInChI=1S/C9H19NO3S/c1-3-4-9(7-11)10(8-5-6-8)14(2,12)13/h8-9,11H,3-7H2,1-2H3/t9-/m1/s1
InChIKeyNGKFZZJRJKFLPK-SECBINFHSA-N
XLogP0.57
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-N-(2-hydroxyethyl)methanesulfonamide
CID 43577526
N-(cyclopropylmethyl)-N-[(2R)-1-hydroxypentan-2-yl]-2-methylpropane-2-sulfonamide
CID 146435358
N-(cyclopropylmethyl)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-methylpropane-2-sulfonamide
CID 146435362
N-cyclopropyl-N-[(2R)-1-hydroxypentan-2-yl]propane-2-sulfonamide
CID 146435368
N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-N-methylmethanesulfonamide
CID 146435601
N-(cyclopropylmethyl)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]ethanesulfonamide
CID 146435833
N-(cyclopropylmethyl)-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]propane-2-sulfonamide
CID 153298270
N-cyclopropyl-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]-2-methylpropane-2-sulfonamide
CID 153298315
N-(cyclopropylmethyl)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]propane-2-sulfonamide
CID 153298383
N-cyclopropyl-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]propane-2-sulfonamide
CID 153298494
N-(cyclopropylmethyl)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]propane-2-sulfonamide
CID 153298556
N-cyclopropyl-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-methylpropane-2-sulfonamide
CID 153298648

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(2R)-1-hydroxypentan-2-yl]methanesulfonamide?
The IUPAC name of N-cyclopropyl-N-[(2R)-1-hydroxypentan-2-yl]methanesulfonamide (CID 156566683) is N-cyclopropyl-N-[(2R)-1-hydroxypentan-2-yl]methanesulfonamide.
What is the SMILES notation for N-cyclopropyl-N-[(2R)-1-hydroxypentan-2-yl]methanesulfonamide?
The canonical SMILES for N-cyclopropyl-N-[(2R)-1-hydroxypentan-2-yl]methanesulfonamide is CCC[C@H](CO)N(C1CC1)S(C)(=O)=O.
What is the InChIKey of N-cyclopropyl-N-[(2R)-1-hydroxypentan-2-yl]methanesulfonamide?
The InChIKey is NGKFZZJRJKFLPK-SECBINFHSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-3-4-9(7-11)10(8-5-6-8)14(2,12)13/h8-9,11H,3-7H2,1-2H3/t9-/m1/s1.
What are the key properties of N-cyclopropyl-N-[(2R)-1-hydroxypentan-2-yl]methanesulfonamide?
N-cyclopropyl-N-[(2R)-1-hydroxypentan-2-yl]methanesulfonamide has a molecular weight of 221.32 g/mol, XLogP of 0.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(2R)-1-hydroxypentan-2-yl]methanesulfonamide is sourced from PubChem (CID 156566683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).