N-[1-[[(2R)-2-hydroxypropyl]amino]-2-methylpropan-2-yl]methanesulfonamide

C8H20N2O3S — CID 106932132

IUPACN-[1-[[(2R)-2-hydroxypropyl]amino]-2-methylpropan-2-yl]methanesulfonamide
SMILESC[C@@H](O)CNCC(C)(C)NS(C)(=O)=O
InChIInChI=1S/C8H20N2O3S/c1-7(11)5-9-6-8(2,3)10-14(4,12)13/h7,9-11H,5-6H2,1-4H3/t7-/m1/s1
InChIKeyLGDRRHLFBYFLRK-SSDOTTSWSA-N
MW224.33 g/mol
LogP-0.72
Rot. Bonds6

About N-[1-[[(2R)-2-hydroxypropyl]amino]-2-methylpropan-2-yl]methanesulfonamide

N-[1-[[(2R)-2-hydroxypropyl]amino]-2-methylpropan-2-yl]methanesulfonamide (PubChem CID 106932132) has the molecular formula C8H20N2O3S and a molecular weight of 224.33 g/mol. Its IUPAC name is N-[1-[[(2R)-2-hydroxypropyl]amino]-2-methylpropan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[[(2R)-2-hydroxypropyl]amino]-2-methylpropan-2-yl]methanesulfonamide
PubChem CID106932132
Molecular FormulaC8H20N2O3S
Molecular Weight224.33 g/mol
Exact Mass224.12
IUPAC NameN-[1-[[(2R)-2-hydroxypropyl]amino]-2-methylpropan-2-yl]methanesulfonamide
SMILESC[C@@H](O)CNCC(C)(C)NS(C)(=O)=O
InChIInChI=1S/C8H20N2O3S/c1-7(11)5-9-6-8(2,3)10-14(4,12)13/h7,9-11H,5-6H2,1-4H3/t7-/m1/s1
InChIKeyLGDRRHLFBYFLRK-SSDOTTSWSA-N
XLogP-0.72
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 5-0.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2,2-difluoroethylamino)-2-methylpropan-2-yl]methanesulfonamide
CID 63858455
N-[1-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]-2-methylpropan-2-yl]methanesulfonamide
CID 63858980
N-[2-methyl-1-(4-methylpentylamino)propan-2-yl]methanesulfonamide
CID 83156501
N-[1-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-2-methylpropan-2-yl]methanesulfonamide
CID 63859862
1-(2,2-dimethylpropylamino)propan-2-ol
CID 21304828
N-[1-[2-(4-fluorophenyl)propylamino]-2-methylpropan-2-yl]methanesulfonamide
CID 84596648
N-[1-(3-hydroxypropylamino)-2-methylpropan-2-yl]methanesulfonamide
CID 63860393
N-[2-(methanesulfonamido)-2-methylpropyl]propane-2-sulfonamide
CID 63902709
N-[2-(methanesulfonamido)-2-methylpropyl]-2-sulfanylpropanamide
CID 107030203
(2S)-2-amino-N-[2-(methanesulfonamido)-2-methylpropyl]propanamide
CID 78952829
methyl 2-hydroxy-3-[[2-(methanesulfonamido)-2-methylpropyl]amino]-2-methylpropanoate
CID 113436539
3-[[2-(methanesulfonamido)-2-methylpropyl]amino]-2-methylbutanoic acid
CID 79397099

Frequently Asked Questions

What is the IUPAC name of N-[1-[[(2R)-2-hydroxypropyl]amino]-2-methylpropan-2-yl]methanesulfonamide?
The IUPAC name of N-[1-[[(2R)-2-hydroxypropyl]amino]-2-methylpropan-2-yl]methanesulfonamide (CID 106932132) is N-[1-[[(2R)-2-hydroxypropyl]amino]-2-methylpropan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[[(2R)-2-hydroxypropyl]amino]-2-methylpropan-2-yl]methanesulfonamide?
The canonical SMILES for N-[1-[[(2R)-2-hydroxypropyl]amino]-2-methylpropan-2-yl]methanesulfonamide is C[C@@H](O)CNCC(C)(C)NS(C)(=O)=O.
What is the InChIKey of N-[1-[[(2R)-2-hydroxypropyl]amino]-2-methylpropan-2-yl]methanesulfonamide?
The InChIKey is LGDRRHLFBYFLRK-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H20N2O3S/c1-7(11)5-9-6-8(2,3)10-14(4,12)13/h7,9-11H,5-6H2,1-4H3/t7-/m1/s1.
What are the key properties of N-[1-[[(2R)-2-hydroxypropyl]amino]-2-methylpropan-2-yl]methanesulfonamide?
N-[1-[[(2R)-2-hydroxypropyl]amino]-2-methylpropan-2-yl]methanesulfonamide has a molecular weight of 224.33 g/mol, XLogP of -0.72, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[(2R)-2-hydroxypropyl]amino]-2-methylpropan-2-yl]methanesulfonamide is sourced from PubChem (CID 106932132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).