N-[1-(3-hydroxypropylamino)-2-methylpropan-2-yl]methanesulfonamide

C8H20N2O3S — CID 63860393

IUPACN-[1-(3-hydroxypropylamino)-2-methylpropan-2-yl]methanesulfonamide
SMILESCC(C)(CNCCCO)NS(C)(=O)=O
InChIInChI=1S/C8H20N2O3S/c1-8(2,10-14(3,12)13)7-9-5-4-6-11/h9-11H,4-7H2,1-3H3
InChIKeyFVNGPTBYPLYAQU-UHFFFAOYSA-N
MW224.33 g/mol
LogP-0.71
Rot. Bonds7

About N-[1-(3-hydroxypropylamino)-2-methylpropan-2-yl]methanesulfonamide

N-[1-(3-hydroxypropylamino)-2-methylpropan-2-yl]methanesulfonamide (PubChem CID 63860393) has the molecular formula C8H20N2O3S and a molecular weight of 224.33 g/mol. Its IUPAC name is N-[1-(3-hydroxypropylamino)-2-methylpropan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(3-hydroxypropylamino)-2-methylpropan-2-yl]methanesulfonamide
PubChem CID63860393
Molecular FormulaC8H20N2O3S
Molecular Weight224.33 g/mol
Exact Mass224.12
IUPAC NameN-[1-(3-hydroxypropylamino)-2-methylpropan-2-yl]methanesulfonamide
SMILESCC(C)(CNCCCO)NS(C)(=O)=O
InChIInChI=1S/C8H20N2O3S/c1-8(2,10-14(3,12)13)7-9-5-4-6-11/h9-11H,4-7H2,1-3H3
InChIKeyFVNGPTBYPLYAQU-UHFFFAOYSA-N
XLogP-0.71
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 5-0.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-methyl-1-(4-methylpentylamino)propan-2-yl]methanesulfonamide
CID 83156501
4-[[2-(methanesulfonamido)-2-methylpropyl]amino]-N-methylbutanamide
CID 63891851
methyl 3-[[2-(methanesulfonamido)-2-methylpropyl]amino]propanoate
CID 63860915
N-[1-[3-(2-methoxyethoxy)propylamino]-2-methylpropan-2-yl]methanesulfonamide
CID 103409513
N-[2-methyl-1-(4-phenylbutylamino)propan-2-yl]methanesulfonamide
CID 114333365
N-[1-[2-(diethylamino)ethylamino]-2-methylpropan-2-yl]methanesulfonamide
CID 63860753
N-[1-(2-ethoxyethylamino)-2-methylpropan-2-yl]methanesulfonamide
CID 63858634
N-[1-(2-butoxyethylamino)-2-methylpropan-2-yl]methanesulfonamide
CID 63859852
N-[1-[[(2R)-2-hydroxypropyl]amino]-2-methylpropan-2-yl]methanesulfonamide
CID 106932132
N-[1-(2,2-difluoroethylamino)-2-methylpropan-2-yl]methanesulfonamide
CID 63858455
methyl 2-hydroxy-3-[[2-(methanesulfonamido)-2-methylpropyl]amino]-2-methylpropanoate
CID 113436539
N-[2-methyl-1-[(1-methylpiperidin-4-yl)methylamino]propan-2-yl]methanesulfonamide
CID 63859267

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-hydroxypropylamino)-2-methylpropan-2-yl]methanesulfonamide?
The IUPAC name of N-[1-(3-hydroxypropylamino)-2-methylpropan-2-yl]methanesulfonamide (CID 63860393) is N-[1-(3-hydroxypropylamino)-2-methylpropan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(3-hydroxypropylamino)-2-methylpropan-2-yl]methanesulfonamide?
The canonical SMILES for N-[1-(3-hydroxypropylamino)-2-methylpropan-2-yl]methanesulfonamide is CC(C)(CNCCCO)NS(C)(=O)=O.
What is the InChIKey of N-[1-(3-hydroxypropylamino)-2-methylpropan-2-yl]methanesulfonamide?
The InChIKey is FVNGPTBYPLYAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O3S/c1-8(2,10-14(3,12)13)7-9-5-4-6-11/h9-11H,4-7H2,1-3H3.
What are the key properties of N-[1-(3-hydroxypropylamino)-2-methylpropan-2-yl]methanesulfonamide?
N-[1-(3-hydroxypropylamino)-2-methylpropan-2-yl]methanesulfonamide has a molecular weight of 224.33 g/mol, XLogP of -0.71, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-hydroxypropylamino)-2-methylpropan-2-yl]methanesulfonamide is sourced from PubChem (CID 63860393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).