N-(3-amino-2-methylpropyl)-1-(oxolan-2-yl)methanesulfonamide

C9H20N2O3S — CID 63246286

IUPACN-(3-amino-2-methylpropyl)-1-(oxolan-2-yl)methanesulfonamide
SMILESCC(CN)CNS(=O)(=O)CC1CCCO1
InChIInChI=1S/C9H20N2O3S/c1-8(5-10)6-11-15(12,13)7-9-3-2-4-14-9/h8-9,11H,2-7,10H2,1H3
InChIKeyXCVYQSFPWUQNGG-UHFFFAOYSA-N
MW236.34 g/mol
LogP-0.32
Rot. Bonds6

About N-(3-amino-2-methylpropyl)-1-(oxolan-2-yl)methanesulfonamide

N-(3-amino-2-methylpropyl)-1-(oxolan-2-yl)methanesulfonamide (PubChem CID 63246286) has the molecular formula C9H20N2O3S and a molecular weight of 236.34 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-1-(oxolan-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-1-(oxolan-2-yl)methanesulfonamide
PubChem CID63246286
Molecular FormulaC9H20N2O3S
Molecular Weight236.34 g/mol
Exact Mass236.12
IUPAC NameN-(3-amino-2-methylpropyl)-1-(oxolan-2-yl)methanesulfonamide
SMILESCC(CN)CNS(=O)(=O)CC1CCCO1
InChIInChI=1S/C9H20N2O3S/c1-8(5-10)6-11-15(12,13)7-9-3-2-4-14-9/h8-9,11H,2-7,10H2,1H3
InChIKeyXCVYQSFPWUQNGG-UHFFFAOYSA-N
XLogP-0.32
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[3-(2-methylpropoxy)propyl]oxolane-3-sulfonamide
CID 75485175
3-ethoxy-2-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]propane-1-sulfonamide
CID 121566340
N-(3-amino-2,2-difluoropropyl)-1-(oxolan-2-yl)methanesulfonamide
CID 114383925
1-(oxolan-2-yl)-N-propan-2-ylmethanesulfonamide
CID 64294996
2-Methyl-3-[methyl(oxolan-2-ylmethylsulfonyl)amino]propanethioamide
CID 55173353
N-(3-aminopropyl)-1-(oxolan-2-yl)-N-propan-2-ylmethanesulfonamide
CID 55174691
N-(2-amino-4-methylpentyl)-1-(oxolan-2-yl)methanesulfonamide
CID 55174693
N-(3-amino-2-methylpropyl)oxane-4-sulfonamide
CID 62666289
N-butan-2-yl-1-(oxolan-2-yl)methanesulfonamide
CID 62732369
N-ethyl-1-(oxolan-2-yl)methanesulfonamide
CID 62732744
1-(oxolan-2-yl)-N-propylmethanesulfonamide
CID 62732937
N-(2-methoxyethyl)-1-(oxolan-2-yl)methanesulfonamide
CID 62734810

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-1-(oxolan-2-yl)methanesulfonamide?
The IUPAC name of N-(3-amino-2-methylpropyl)-1-(oxolan-2-yl)methanesulfonamide (CID 63246286) is N-(3-amino-2-methylpropyl)-1-(oxolan-2-yl)methanesulfonamide.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-1-(oxolan-2-yl)methanesulfonamide?
The canonical SMILES for N-(3-amino-2-methylpropyl)-1-(oxolan-2-yl)methanesulfonamide is CC(CN)CNS(=O)(=O)CC1CCCO1.
What is the InChIKey of N-(3-amino-2-methylpropyl)-1-(oxolan-2-yl)methanesulfonamide?
The InChIKey is XCVYQSFPWUQNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3S/c1-8(5-10)6-11-15(12,13)7-9-3-2-4-14-9/h8-9,11H,2-7,10H2,1H3.
What are the key properties of N-(3-amino-2-methylpropyl)-1-(oxolan-2-yl)methanesulfonamide?
N-(3-amino-2-methylpropyl)-1-(oxolan-2-yl)methanesulfonamide has a molecular weight of 236.34 g/mol, XLogP of -0.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-1-(oxolan-2-yl)methanesulfonamide is sourced from PubChem (CID 63246286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).