N-methyl-4-(oxolan-2-ylmethylsulfonyl)pentan-2-amine

C11H23NO3S — CID 106496026

IUPACN-methyl-4-(oxolan-2-ylmethylsulfonyl)pentan-2-amine
SMILESCNC(C)CC(C)S(=O)(=O)CC1CCCO1
InChIInChI=1S/C11H23NO3S/c1-9(12-3)7-10(2)16(13,14)8-11-5-4-6-15-11/h9-12H,4-8H2,1-3H3
InChIKeyUWMSRMYCNQUPES-UHFFFAOYSA-N
MW249.38 g/mol
LogP0.97
Rot. Bonds6

About N-methyl-4-(oxolan-2-ylmethylsulfonyl)pentan-2-amine

N-methyl-4-(oxolan-2-ylmethylsulfonyl)pentan-2-amine (PubChem CID 106496026) has the molecular formula C11H23NO3S and a molecular weight of 249.38 g/mol. Its IUPAC name is N-methyl-4-(oxolan-2-ylmethylsulfonyl)pentan-2-amine.

Molecular Properties

Compound NameN-methyl-4-(oxolan-2-ylmethylsulfonyl)pentan-2-amine
PubChem CID106496026
Molecular FormulaC11H23NO3S
Molecular Weight249.38 g/mol
Exact Mass249.14
IUPAC NameN-methyl-4-(oxolan-2-ylmethylsulfonyl)pentan-2-amine
SMILESCNC(C)CC(C)S(=O)(=O)CC1CCCO1
InChIInChI=1S/C11H23NO3S/c1-9(12-3)7-10(2)16(13,14)8-11-5-4-6-15-11/h9-12H,4-8H2,1-3H3
InChIKeyUWMSRMYCNQUPES-UHFFFAOYSA-N
XLogP0.97
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(oxolan-2-ylmethylsulfonyl)pentan-2-one
CID 106497123
2-(oxan-2-ylmethylsulfonyl)propan-1-amine
CID 81187851
N-methyl-1-(oxolan-2-yl)propan-2-amine
CID 60819551
2-methyl-3-(oxolan-2-ylmethylsulfonyl)butanoic acid
CID 106493648
N-ethyl-2-(oxolan-2-ylmethylsulfonyl)pentan-3-amine
CID 106496112
(2R)-2-(methylsulfonylmethyl)oxolane
CID 68993549
4-N-ethyl-2-N-methyl-4-N-(oxolan-2-ylmethyl)pentane-2,4-diamine
CID 64709069
2-[(sulfamoylamino)methyl]oxolane
CID 68548773
2-(oxolan-2-ylmethylsulfonyl)-N-propylpentan-3-amine
CID 106495967
N-(3-chloro-2-methylpropyl)-1-(oxolan-2-yl)methanesulfonamide
CID 65037518
N-(4-aminobutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide
CID 63246921
2-(oxolan-2-ylmethylsulfonyl)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 106513593

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(oxolan-2-ylmethylsulfonyl)pentan-2-amine?
The IUPAC name of N-methyl-4-(oxolan-2-ylmethylsulfonyl)pentan-2-amine (CID 106496026) is N-methyl-4-(oxolan-2-ylmethylsulfonyl)pentan-2-amine.
What is the SMILES notation for N-methyl-4-(oxolan-2-ylmethylsulfonyl)pentan-2-amine?
The canonical SMILES for N-methyl-4-(oxolan-2-ylmethylsulfonyl)pentan-2-amine is CNC(C)CC(C)S(=O)(=O)CC1CCCO1.
What is the InChIKey of N-methyl-4-(oxolan-2-ylmethylsulfonyl)pentan-2-amine?
The InChIKey is UWMSRMYCNQUPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3S/c1-9(12-3)7-10(2)16(13,14)8-11-5-4-6-15-11/h9-12H,4-8H2,1-3H3.
What are the key properties of N-methyl-4-(oxolan-2-ylmethylsulfonyl)pentan-2-amine?
N-methyl-4-(oxolan-2-ylmethylsulfonyl)pentan-2-amine has a molecular weight of 249.38 g/mol, XLogP of 0.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(oxolan-2-ylmethylsulfonyl)pentan-2-amine is sourced from PubChem (CID 106496026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).