N-[[(2S)-6,6-dimethyloxan-2-yl]methyl]methanesulfonamide

C9H19NO3S — CID 159631931

IUPACN-[[(2S)-6,6-dimethyloxan-2-yl]methyl]methanesulfonamide
SMILESCC1(C)CCC[C@@H](CNS(C)(=O)=O)O1
InChIInChI=1S/C9H19NO3S/c1-9(2)6-4-5-8(13-9)7-10-14(3,11)12/h8,10H,4-7H2,1-3H3/t8-/m0/s1
InChIKeyBGRTWJDKBNLGEY-QMMMGPOBSA-N
MW221.32 g/mol
LogP0.88
Rot. Bonds3

About N-[[(2S)-6,6-dimethyloxan-2-yl]methyl]methanesulfonamide

N-[[(2S)-6,6-dimethyloxan-2-yl]methyl]methanesulfonamide (PubChem CID 159631931) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is N-[[(2S)-6,6-dimethyloxan-2-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[(2S)-6,6-dimethyloxan-2-yl]methyl]methanesulfonamide
PubChem CID159631931
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC NameN-[[(2S)-6,6-dimethyloxan-2-yl]methyl]methanesulfonamide
SMILESCC1(C)CCC[C@@H](CNS(C)(=O)=O)O1
InChIInChI=1S/C9H19NO3S/c1-9(2)6-4-5-8(13-9)7-10-14(3,11)12/h8,10H,4-7H2,1-3H3/t8-/m0/s1
InChIKeyBGRTWJDKBNLGEY-QMMMGPOBSA-N
XLogP0.88
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[(5,5-dimethyloxolan-2-yl)methylamino]propyl]methanesulfonamide
CID 114175166
N-[[(5R,7R)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide
CID 97476555
N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]methanesulfonamide
CID 8698584
N-[(5,5-dimethyloxolan-2-yl)methyl]-1-methylcyclohexan-1-amine
CID 116521368
N-[[(5R,7S)-2-(2-methoxyacetyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide
CID 97475247
2-(6,6-dimethyloxan-2-yl)acetonitrile
CID 130585691
N-[[(5R,7S)-2-(2-ethoxyacetyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide
CID 97475500
1-[(2R)-6,6-dimethyloxan-2-yl]-N-[2-(1,2-oxazol-4-yl)ethyl]methanesulfonamide
CID 164638505
N-[[(5R,7R)-2-(1,3-thiazol-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide
CID 97474642
1-(5,5-dimethyloxolan-2-yl)-N-[(4-methylsulfonylphenyl)methyl]methanamine
CID 116521375
N-[[(5R,7S)-2-(oxan-4-yl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid
CID 155847855
N-[(5,5-dimethyloxolan-2-yl)methyl]-1-ethylcyclobutan-1-amine
CID 116521711

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-6,6-dimethyloxan-2-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[(2S)-6,6-dimethyloxan-2-yl]methyl]methanesulfonamide (CID 159631931) is N-[[(2S)-6,6-dimethyloxan-2-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[(2S)-6,6-dimethyloxan-2-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[(2S)-6,6-dimethyloxan-2-yl]methyl]methanesulfonamide is CC1(C)CCC[C@@H](CNS(C)(=O)=O)O1.
What is the InChIKey of N-[[(2S)-6,6-dimethyloxan-2-yl]methyl]methanesulfonamide?
The InChIKey is BGRTWJDKBNLGEY-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-9(2)6-4-5-8(13-9)7-10-14(3,11)12/h8,10H,4-7H2,1-3H3/t8-/m0/s1.
What are the key properties of N-[[(2S)-6,6-dimethyloxan-2-yl]methyl]methanesulfonamide?
N-[[(2S)-6,6-dimethyloxan-2-yl]methyl]methanesulfonamide has a molecular weight of 221.32 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-6,6-dimethyloxan-2-yl]methyl]methanesulfonamide is sourced from PubChem (CID 159631931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).