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

C13H27NO3S — CID 106496039

IUPAC5-(oxolan-2-ylmethylsulfonyl)-N-propylpentan-2-amine
SMILESCCCNC(C)CCCS(=O)(=O)CC1CCCO1
InChIInChI=1S/C13H27NO3S/c1-3-8-14-12(2)6-5-10-18(15,16)11-13-7-4-9-17-13/h12-14H,3-11H2,1-2H3
InChIKeyNOIZQNPOUXYECB-UHFFFAOYSA-N
MW277.43 g/mol
LogP1.75
Rot. Bonds9

About 5-(oxolan-2-ylmethylsulfonyl)-N-propylpentan-2-amine

5-(oxolan-2-ylmethylsulfonyl)-N-propylpentan-2-amine (PubChem CID 106496039) has the molecular formula C13H27NO3S and a molecular weight of 277.43 g/mol. Its IUPAC name is 5-(oxolan-2-ylmethylsulfonyl)-N-propylpentan-2-amine.

Molecular Properties

Compound Name5-(oxolan-2-ylmethylsulfonyl)-N-propylpentan-2-amine
PubChem CID106496039
Molecular FormulaC13H27NO3S
Molecular Weight277.43 g/mol
Exact Mass277.17
IUPAC Name5-(oxolan-2-ylmethylsulfonyl)-N-propylpentan-2-amine
SMILESCCCNC(C)CCCS(=O)(=O)CC1CCCO1
InChIInChI=1S/C13H27NO3S/c1-3-8-14-12(2)6-5-10-18(15,16)11-13-7-4-9-17-13/h12-14H,3-11H2,1-2H3
InChIKeyNOIZQNPOUXYECB-UHFFFAOYSA-N
XLogP1.75
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
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

4-(oxolan-2-ylmethylsulfonyl)-N-propan-2-ylbutan-1-amine
CID 106513606
N-(2-ethylsulfonylethyl)-1-(oxolan-2-yl)propan-2-amine
CID 115716501
2-[(5-bromo-3-methylpentyl)sulfonylmethyl]oxolane
CID 106493722
2-(oxolan-2-ylmethylsulfonyl)-N-propylpentan-3-amine
CID 106495967
2-butoxy-N-[2-(oxolan-2-ylmethylsulfonyl)ethyl]ethanamine
CID 106513585
7-ethylsulfonyl-N-propylheptan-2-amine
CID 65096990
N-ethyl-6-ethylsulfonyl-1-(oxolan-2-yl)hexan-3-amine
CID 115865230
6-methyl-N-[2-(oxolan-2-yl)ethyl]heptan-2-amine
CID 65163408
(2R)-N-[[(2S)-oxolan-2-yl]methyl]octan-2-amine
CID 28879278
N-(2-methoxyethyl)-4-(oxolan-2-ylmethylsulfonyl)butan-1-amine
CID 106513565
3-ethoxy-N-[2-(oxolan-2-ylmethylsulfonyl)ethyl]propan-1-amine
CID 106513636
6-methylsulfonyl-1-(oxan-2-yl)-N-propylhexan-3-amine
CID 115820960

Frequently Asked Questions

What is the IUPAC name of 5-(oxolan-2-ylmethylsulfonyl)-N-propylpentan-2-amine?
The IUPAC name of 5-(oxolan-2-ylmethylsulfonyl)-N-propylpentan-2-amine (CID 106496039) is 5-(oxolan-2-ylmethylsulfonyl)-N-propylpentan-2-amine.
What is the SMILES notation for 5-(oxolan-2-ylmethylsulfonyl)-N-propylpentan-2-amine?
The canonical SMILES for 5-(oxolan-2-ylmethylsulfonyl)-N-propylpentan-2-amine is CCCNC(C)CCCS(=O)(=O)CC1CCCO1.
What is the InChIKey of 5-(oxolan-2-ylmethylsulfonyl)-N-propylpentan-2-amine?
The InChIKey is NOIZQNPOUXYECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3S/c1-3-8-14-12(2)6-5-10-18(15,16)11-13-7-4-9-17-13/h12-14H,3-11H2,1-2H3.
What are the key properties of 5-(oxolan-2-ylmethylsulfonyl)-N-propylpentan-2-amine?
5-(oxolan-2-ylmethylsulfonyl)-N-propylpentan-2-amine has a molecular weight of 277.43 g/mol, XLogP of 1.75, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxolan-2-ylmethylsulfonyl)-N-propylpentan-2-amine is sourced from PubChem (CID 106496039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).