N-(cyclopropylmethyl)-N-[(2R)-5-methylhexan-2-yl]methanesulfonamide

C12H25NO2S — CID 170081112

IUPACN-(cyclopropylmethyl)-N-[(2R)-5-methylhexan-2-yl]methanesulfonamide
SMILESCC(C)CC[C@@H](C)N(CC1CC1)S(C)(=O)=O
InChIInChI=1S/C12H25NO2S/c1-10(2)5-6-11(3)13(16(4,14)15)9-12-7-8-12/h10-12H,5-9H2,1-4H3/t11-/m1/s1
InChIKeyLLTBBLXAGBQSRP-LLVKDONJSA-N
MW247.40 g/mol
LogP2.48
Rot. Bonds7

About N-(cyclopropylmethyl)-N-[(2R)-5-methylhexan-2-yl]methanesulfonamide

N-(cyclopropylmethyl)-N-[(2R)-5-methylhexan-2-yl]methanesulfonamide (PubChem CID 170081112) has the molecular formula C12H25NO2S and a molecular weight of 247.40 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[(2R)-5-methylhexan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-[(2R)-5-methylhexan-2-yl]methanesulfonamide
PubChem CID170081112
Molecular FormulaC12H25NO2S
Molecular Weight247.40 g/mol
Exact Mass247.16
IUPAC NameN-(cyclopropylmethyl)-N-[(2R)-5-methylhexan-2-yl]methanesulfonamide
SMILESCC(C)CC[C@@H](C)N(CC1CC1)S(C)(=O)=O
InChIInChI=1S/C12H25NO2S/c1-10(2)5-6-11(3)13(16(4,14)15)9-12-7-8-12/h10-12H,5-9H2,1-4H3/t11-/m1/s1
InChIKeyLLTBBLXAGBQSRP-LLVKDONJSA-N
XLogP2.48
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.40
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclopropylmethyl)-N-[(3R)-2-methylpentan-3-yl]methanesulfonamide
CID 146435825
N-(cyclopropylmethyl)-N-propan-2-ylethanesulfonamide
CID 63738150
N-(oxan-4-ylmethyl)-N-propan-2-ylmethanesulfonamide
CID 21034326
N-(cyclopropylmethyl)-N-[(2R)-1-hydroxy-5-methylhexan-2-yl]propane-2-sulfonamide
CID 153306604
[pent-4-en-2-yl(sulfamoyl)amino]methylcyclopropane
CID 166665809
bis(N-(cyclopropylmethyl)-N-methylpropan-2-amine);bis(3-methylbutylcyclopropane)
CID 167643332
N-(cyclopropylmethyl)-3-methyl-N-propylbutan-1-amine
CID 21355618
4-N-(cyclopropylmethyl)-1-N-(2-methylpropyl)-4-N-propan-2-ylpentane-1,4-diamine
CID 62412162
N-(cyclopropylmethyl)-N-propan-2-ylpiperazine-1-sulfonamide
CID 54999539
3-N-(cyclopropylmethyl)-1-N-(2-methylpropyl)-3-N-propan-2-ylbutane-1,3-diamine
CID 62412165
N-(cyclopropylmethyl)-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]-2-methylpropane-2-sulfonamide
CID 153298749
N-(cyclopropylmethyl)-N-[(2R)-1-hydroxypentan-2-yl]-2-methylpropane-2-sulfonamide
CID 146435358

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-[(2R)-5-methylhexan-2-yl]methanesulfonamide?
The IUPAC name of N-(cyclopropylmethyl)-N-[(2R)-5-methylhexan-2-yl]methanesulfonamide (CID 170081112) is N-(cyclopropylmethyl)-N-[(2R)-5-methylhexan-2-yl]methanesulfonamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-[(2R)-5-methylhexan-2-yl]methanesulfonamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-[(2R)-5-methylhexan-2-yl]methanesulfonamide is CC(C)CC[C@@H](C)N(CC1CC1)S(C)(=O)=O.
What is the InChIKey of N-(cyclopropylmethyl)-N-[(2R)-5-methylhexan-2-yl]methanesulfonamide?
The InChIKey is LLTBBLXAGBQSRP-LLVKDONJSA-N. The full InChI is InChI=1S/C12H25NO2S/c1-10(2)5-6-11(3)13(16(4,14)15)9-12-7-8-12/h10-12H,5-9H2,1-4H3/t11-/m1/s1.
What are the key properties of N-(cyclopropylmethyl)-N-[(2R)-5-methylhexan-2-yl]methanesulfonamide?
N-(cyclopropylmethyl)-N-[(2R)-5-methylhexan-2-yl]methanesulfonamide has a molecular weight of 247.40 g/mol, XLogP of 2.48, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-[(2R)-5-methylhexan-2-yl]methanesulfonamide is sourced from PubChem (CID 170081112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).