2-(oxolan-2-ylmethylsulfonyl)-N-propylpentan-3-amine

C13H27NO3S — CID 106495967

IUPAC2-(oxolan-2-ylmethylsulfonyl)-N-propylpentan-3-amine
SMILESCCCNC(CC)C(C)S(=O)(=O)CC1CCCO1
InChIInChI=1S/C13H27NO3S/c1-4-8-14-13(5-2)11(3)18(15,16)10-12-7-6-9-17-12/h11-14H,4-10H2,1-3H3
InChIKeyXKUFFBWQLYFRDT-UHFFFAOYSA-N
MW277.43 g/mol
LogP1.75
Rot. Bonds8

About 2-(oxolan-2-ylmethylsulfonyl)-N-propylpentan-3-amine

2-(oxolan-2-ylmethylsulfonyl)-N-propylpentan-3-amine (PubChem CID 106495967) has the molecular formula C13H27NO3S and a molecular weight of 277.43 g/mol. Its IUPAC name is 2-(oxolan-2-ylmethylsulfonyl)-N-propylpentan-3-amine.

Molecular Properties

Compound Name2-(oxolan-2-ylmethylsulfonyl)-N-propylpentan-3-amine
PubChem CID106495967
Molecular FormulaC13H27NO3S
Molecular Weight277.43 g/mol
Exact Mass277.17
IUPAC Name2-(oxolan-2-ylmethylsulfonyl)-N-propylpentan-3-amine
SMILESCCCNC(CC)C(C)S(=O)(=O)CC1CCCO1
InChIInChI=1S/C13H27NO3S/c1-4-8-14-13(5-2)11(3)18(15,16)10-12-7-6-9-17-12/h11-14H,4-10H2,1-3H3
InChIKeyXKUFFBWQLYFRDT-UHFFFAOYSA-N
XLogP1.75
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-(oxolan-2-ylmethylsulfonyl)pentan-3-amine
CID 106496112
5-(oxolan-2-ylmethylsulfonyl)-N-propylpentan-2-amine
CID 106496039
2-methyl-3-(oxolan-2-ylmethylsulfonyl)butanoic acid
CID 106493648
N-methyl-4-(oxolan-2-ylmethylsulfonyl)pentan-2-amine
CID 106496026
2-butan-2-ylsulfonyl-N-(oxolan-2-ylmethyl)ethanamine
CID 106512734
4-(oxolan-2-ylmethylsulfonyl)-N-propan-2-ylbutan-1-amine
CID 106513606
(2R)-2-ethyloxolane
CID 641529
N-(2-ethylbutyl)-1-(oxolan-2-yl)methanesulfonamide
CID 115613323
4-(oxolan-2-ylmethylsulfonyl)pentan-2-one
CID 106497123
(2R)-2-(methylsulfonylmethyl)oxolane
CID 68993549
2-(oxan-2-ylmethylsulfonyl)propan-1-amine
CID 81187851
N-(2-ethylsulfonylethyl)-1-(oxolan-2-yl)propan-2-amine
CID 115716501

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-ylmethylsulfonyl)-N-propylpentan-3-amine?
The IUPAC name of 2-(oxolan-2-ylmethylsulfonyl)-N-propylpentan-3-amine (CID 106495967) is 2-(oxolan-2-ylmethylsulfonyl)-N-propylpentan-3-amine.
What is the SMILES notation for 2-(oxolan-2-ylmethylsulfonyl)-N-propylpentan-3-amine?
The canonical SMILES for 2-(oxolan-2-ylmethylsulfonyl)-N-propylpentan-3-amine is CCCNC(CC)C(C)S(=O)(=O)CC1CCCO1.
What is the InChIKey of 2-(oxolan-2-ylmethylsulfonyl)-N-propylpentan-3-amine?
The InChIKey is XKUFFBWQLYFRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3S/c1-4-8-14-13(5-2)11(3)18(15,16)10-12-7-6-9-17-12/h11-14H,4-10H2,1-3H3.
What are the key properties of 2-(oxolan-2-ylmethylsulfonyl)-N-propylpentan-3-amine?
2-(oxolan-2-ylmethylsulfonyl)-N-propylpentan-3-amine has a molecular weight of 277.43 g/mol, XLogP of 1.75, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-ylmethylsulfonyl)-N-propylpentan-3-amine is sourced from PubChem (CID 106495967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).