N-methyl-1-(5-methyloxolan-3-yl)-3-methylsulfonylpropan-1-amine

C10H21NO3S — CID 115848731

IUPACN-methyl-1-(5-methyloxolan-3-yl)-3-methylsulfonylpropan-1-amine
SMILESCNC(CCS(C)(=O)=O)C1COC(C)C1
InChIInChI=1S/C10H21NO3S/c1-8-6-9(7-14-8)10(11-2)4-5-15(3,12)13/h8-11H,4-7H2,1-3H3
InChIKeyUETZUHPAMZPHSU-UHFFFAOYSA-N
MW235.35 g/mol
LogP0.43
Rot. Bonds5

About N-methyl-1-(5-methyloxolan-3-yl)-3-methylsulfonylpropan-1-amine

N-methyl-1-(5-methyloxolan-3-yl)-3-methylsulfonylpropan-1-amine (PubChem CID 115848731) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is N-methyl-1-(5-methyloxolan-3-yl)-3-methylsulfonylpropan-1-amine.

Molecular Properties

Compound NameN-methyl-1-(5-methyloxolan-3-yl)-3-methylsulfonylpropan-1-amine
PubChem CID115848731
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC NameN-methyl-1-(5-methyloxolan-3-yl)-3-methylsulfonylpropan-1-amine
SMILESCNC(CCS(C)(=O)=O)C1COC(C)C1
InChIInChI=1S/C10H21NO3S/c1-8-6-9(7-14-8)10(11-2)4-5-15(3,12)13/h8-11H,4-7H2,1-3H3
InChIKeyUETZUHPAMZPHSU-UHFFFAOYSA-N
XLogP0.43
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(5-Propan-2-ylpyrrolidin-3-yl)oxypropan-2-yl]thiolane 1,1-dioxide
CID 134402281
N-[(1,1-dioxothiolan-3-yl)-(oxan-4-yl)methyl]propan-1-amine
CID 55066605
2-(1,1-dioxothiolan-3-yl)-4-ethoxy-N-ethylbutan-1-amine
CID 55083755
4-butoxy-2-(1,1-dioxothiolan-3-yl)-N-ethylbutan-1-amine
CID 55083802
2-(1,1-dioxothiolan-3-yl)-4-methoxy-N-propylbutan-1-amine
CID 55083847
2-(1,1-dioxothiolan-3-yl)-N-propan-2-yl-4-propan-2-yloxybutan-1-amine
CID 55083940
N-[2-(1,1-dioxothiolan-3-yl)-4-propan-2-yloxybutyl]cyclopropanamine
CID 55083990
N-tert-butyl-2-(1,1-dioxothiolan-3-yl)-4-ethoxybutan-1-amine
CID 55084035
2-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine
CID 55091719
4-methylsulfonyl-1-(oxolan-2-yl)-N-propylbutan-2-amine
CID 55095020
N-[[1,1-dioxo-3-(oxolan-2-ylmethyl)thiolan-3-yl]methyl]propan-2-amine
CID 55106931
N-[[3-(3-methylsulfonylpropyl)oxolan-3-yl]methyl]propan-2-amine
CID 55161393

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5-methyloxolan-3-yl)-3-methylsulfonylpropan-1-amine?
The IUPAC name of N-methyl-1-(5-methyloxolan-3-yl)-3-methylsulfonylpropan-1-amine (CID 115848731) is N-methyl-1-(5-methyloxolan-3-yl)-3-methylsulfonylpropan-1-amine.
What is the SMILES notation for N-methyl-1-(5-methyloxolan-3-yl)-3-methylsulfonylpropan-1-amine?
The canonical SMILES for N-methyl-1-(5-methyloxolan-3-yl)-3-methylsulfonylpropan-1-amine is CNC(CCS(C)(=O)=O)C1COC(C)C1.
What is the InChIKey of N-methyl-1-(5-methyloxolan-3-yl)-3-methylsulfonylpropan-1-amine?
The InChIKey is UETZUHPAMZPHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-8-6-9(7-14-8)10(11-2)4-5-15(3,12)13/h8-11H,4-7H2,1-3H3.
What are the key properties of N-methyl-1-(5-methyloxolan-3-yl)-3-methylsulfonylpropan-1-amine?
N-methyl-1-(5-methyloxolan-3-yl)-3-methylsulfonylpropan-1-amine has a molecular weight of 235.35 g/mol, XLogP of 0.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-methyloxolan-3-yl)-3-methylsulfonylpropan-1-amine is sourced from PubChem (CID 115848731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).