N-(4-aminobutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide

C9H20N2O3S — CID 63246921

IUPACN-(4-aminobutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide
SMILESCC(CCN)NS(=O)(=O)CC1CCCO1
InChIInChI=1S/C9H20N2O3S/c1-8(4-5-10)11-15(12,13)7-9-3-2-6-14-9/h8-9,11H,2-7,10H2,1H3
InChIKeyMHBNWAPHAMINAE-UHFFFAOYSA-N
MW236.34 g/mol
LogP-0.18
Rot. Bonds6

About N-(4-aminobutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide

N-(4-aminobutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide (PubChem CID 63246921) has the molecular formula C9H20N2O3S and a molecular weight of 236.34 g/mol. Its IUPAC name is N-(4-aminobutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(4-aminobutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide
PubChem CID63246921
Molecular FormulaC9H20N2O3S
Molecular Weight236.34 g/mol
Exact Mass236.12
IUPAC NameN-(4-aminobutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide
SMILESCC(CCN)NS(=O)(=O)CC1CCCO1
InChIInChI=1S/C9H20N2O3S/c1-8(4-5-10)11-15(12,13)7-9-3-2-6-14-9/h8-9,11H,2-7,10H2,1H3
InChIKeyMHBNWAPHAMINAE-UHFFFAOYSA-N
XLogP-0.18
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 ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(oxolan-2-ylmethylsulfonylamino)butanethioamide
CID 63246950
1-[(2S)-oxolan-2-yl]-N-[(2R)-1-piperidin-1-ylpropan-2-yl]methanesulfonamide
CID 99827262
N-(3-oxobutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide
CID 64994230
(2R)-2-(oxolan-2-ylmethylsulfonylamino)propanoic acid
CID 78927442
(2R)-3-methyl-2-(oxolan-2-ylmethylsulfonylamino)butanoic acid
CID 79011082
N-(5-amino-4-methylpentyl)-1-(oxolan-2-yl)methanesulfonamide
CID 114150936
N-(2-aminoethyl)-1-(oxolan-2-yl)methanesulfonamide;hydrochloride
CID 119960022
N-(1-amino-2,3-dimethylbutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide
CID 113284015
N-(4-aminobutyl)-1-(oxolan-2-yl)methanesulfonamide
CID 63246284
N-(2-amino-1-cyclopentylethyl)-1-(oxan-2-yl)methanesulfonamide;hydrochloride
CID 120584818
2-methyl-3-(oxolan-2-ylmethylsulfonyl)propan-1-amine
CID 81202083
N-(3-chloro-2-methylpropyl)-1-(oxolan-2-yl)methanesulfonamide
CID 65037518

Frequently Asked Questions

What is the IUPAC name of N-(4-aminobutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide?
The IUPAC name of N-(4-aminobutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide (CID 63246921) is N-(4-aminobutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide.
What is the SMILES notation for N-(4-aminobutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide?
The canonical SMILES for N-(4-aminobutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide is CC(CCN)NS(=O)(=O)CC1CCCO1.
What is the InChIKey of N-(4-aminobutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide?
The InChIKey is MHBNWAPHAMINAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3S/c1-8(4-5-10)11-15(12,13)7-9-3-2-6-14-9/h8-9,11H,2-7,10H2,1H3.
What are the key properties of N-(4-aminobutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide?
N-(4-aminobutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide has a molecular weight of 236.34 g/mol, XLogP of -0.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminobutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide is sourced from PubChem (CID 63246921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).