N-(1-aminopropan-2-yl)-1-(oxolan-2-yl)methanesulfonamide

C8H18N2O3S — CID 63246378

IUPACN-(1-aminopropan-2-yl)-1-(oxolan-2-yl)methanesulfonamide
SMILESCC(CN)NS(=O)(=O)CC1CCCO1
InChIInChI=1S/C8H18N2O3S/c1-7(5-9)10-14(11,12)6-8-3-2-4-13-8/h7-8,10H,2-6,9H2,1H3
InChIKeyUJDNZNGJBOQBFO-UHFFFAOYSA-N
MW222.31 g/mol
LogP-0.57
Rot. Bonds5

About N-(1-aminopropan-2-yl)-1-(oxolan-2-yl)methanesulfonamide

N-(1-aminopropan-2-yl)-1-(oxolan-2-yl)methanesulfonamide (PubChem CID 63246378) has the molecular formula C8H18N2O3S and a molecular weight of 222.31 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-1-(oxolan-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-1-(oxolan-2-yl)methanesulfonamide
PubChem CID63246378
Molecular FormulaC8H18N2O3S
Molecular Weight222.31 g/mol
Exact Mass222.10
IUPAC NameN-(1-aminopropan-2-yl)-1-(oxolan-2-yl)methanesulfonamide
SMILESCC(CN)NS(=O)(=O)CC1CCCO1
InChIInChI=1S/C8H18N2O3S/c1-7(5-9)10-14(11,12)6-8-3-2-4-13-8/h7-8,10H,2-6,9H2,1H3
InChIKeyUJDNZNGJBOQBFO-UHFFFAOYSA-N
XLogP-0.57
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-1-(oxolan-2-yl)methanesulfonamide?
The IUPAC name of N-(1-aminopropan-2-yl)-1-(oxolan-2-yl)methanesulfonamide (CID 63246378) is N-(1-aminopropan-2-yl)-1-(oxolan-2-yl)methanesulfonamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-1-(oxolan-2-yl)methanesulfonamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-1-(oxolan-2-yl)methanesulfonamide is CC(CN)NS(=O)(=O)CC1CCCO1.
What is the InChIKey of N-(1-aminopropan-2-yl)-1-(oxolan-2-yl)methanesulfonamide?
The InChIKey is UJDNZNGJBOQBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O3S/c1-7(5-9)10-14(11,12)6-8-3-2-4-13-8/h7-8,10H,2-6,9H2,1H3.
What are the key properties of N-(1-aminopropan-2-yl)-1-(oxolan-2-yl)methanesulfonamide?
N-(1-aminopropan-2-yl)-1-(oxolan-2-yl)methanesulfonamide has a molecular weight of 222.31 g/mol, XLogP of -0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-1-(oxolan-2-yl)methanesulfonamide is sourced from PubChem (CID 63246378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).