N-methyl-4-methylsulfonyl-1-(oxolan-3-yl)butan-2-amine

C10H21NO3S — CID 114982644

IUPACN-methyl-4-methylsulfonyl-1-(oxolan-3-yl)butan-2-amine
SMILESCNC(CCS(C)(=O)=O)CC1CCOC1
InChIInChI=1S/C10H21NO3S/c1-11-10(4-6-15(2,12)13)7-9-3-5-14-8-9/h9-11H,3-8H2,1-2H3
InChIKeyOKYLSDIUMAUFPB-UHFFFAOYSA-N
MW235.35 g/mol
LogP0.44
Rot. Bonds6

About N-methyl-4-methylsulfonyl-1-(oxolan-3-yl)butan-2-amine

N-methyl-4-methylsulfonyl-1-(oxolan-3-yl)butan-2-amine (PubChem CID 114982644) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is N-methyl-4-methylsulfonyl-1-(oxolan-3-yl)butan-2-amine.

Molecular Properties

Compound NameN-methyl-4-methylsulfonyl-1-(oxolan-3-yl)butan-2-amine
PubChem CID114982644
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC NameN-methyl-4-methylsulfonyl-1-(oxolan-3-yl)butan-2-amine
SMILESCNC(CCS(C)(=O)=O)CC1CCOC1
InChIInChI=1S/C10H21NO3S/c1-11-10(4-6-15(2,12)13)7-9-3-5-14-8-9/h9-11H,3-8H2,1-2H3
InChIKeyOKYLSDIUMAUFPB-UHFFFAOYSA-N
XLogP0.44
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methylsulfonyl-1-(oxolan-3-yl)-N-propylbutan-2-amine
CID 114982647
5-methoxy-N-methyl-1-(oxolan-3-yl)pentan-2-amine
CID 114856903
1-cyclohexyl-N-methyl-3-(oxolan-3-yl)propan-2-amine
CID 103987113
N-methyl-1-(oxolan-3-yl)pent-4-en-2-amine
CID 103986920
N-methyl-1-(oxolan-3-yl)-4-thiophen-2-ylbutan-2-amine
CID 103986936
1-cycloheptyl-N-methyl-5-methylsulfonylpentan-2-amine
CID 115820359
N-methyl-1-(oxan-4-yl)hexan-2-amine
CID 79404472
N-methyl-4-(1-methylpyrazol-4-yl)-1-(oxolan-3-yl)butan-2-amine
CID 103012081
N-methyl-1-methylsulfonyl-5-(oxan-2-yl)pentan-3-amine
CID 115848636
1-(4-ethylphenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine
CID 113362150
1-(3,5-dimethylphenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine
CID 113362112
1-(4-iodophenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine
CID 103987071

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-methylsulfonyl-1-(oxolan-3-yl)butan-2-amine?
The IUPAC name of N-methyl-4-methylsulfonyl-1-(oxolan-3-yl)butan-2-amine (CID 114982644) is N-methyl-4-methylsulfonyl-1-(oxolan-3-yl)butan-2-amine.
What is the SMILES notation for N-methyl-4-methylsulfonyl-1-(oxolan-3-yl)butan-2-amine?
The canonical SMILES for N-methyl-4-methylsulfonyl-1-(oxolan-3-yl)butan-2-amine is CNC(CCS(C)(=O)=O)CC1CCOC1.
What is the InChIKey of N-methyl-4-methylsulfonyl-1-(oxolan-3-yl)butan-2-amine?
The InChIKey is OKYLSDIUMAUFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-11-10(4-6-15(2,12)13)7-9-3-5-14-8-9/h9-11H,3-8H2,1-2H3.
What are the key properties of N-methyl-4-methylsulfonyl-1-(oxolan-3-yl)butan-2-amine?
N-methyl-4-methylsulfonyl-1-(oxolan-3-yl)butan-2-amine has a molecular weight of 235.35 g/mol, XLogP of 0.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-methylsulfonyl-1-(oxolan-3-yl)butan-2-amine is sourced from PubChem (CID 114982644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).