2-(2-methoxyethylsulfonyl)-N-propylpentan-3-amine

C11H25NO3S — CID 64647490

IUPAC2-(2-methoxyethylsulfonyl)-N-propylpentan-3-amine
SMILESCCCNC(CC)C(C)S(=O)(=O)CCOC
InChIInChI=1S/C11H25NO3S/c1-5-7-12-11(6-2)10(3)16(13,14)9-8-15-4/h10-12H,5-9H2,1-4H3
InChIKeyNPNFDCJGOUHUNL-UHFFFAOYSA-N
MW251.39 g/mol
LogP1.21
Rot. Bonds9

About 2-(2-methoxyethylsulfonyl)-N-propylpentan-3-amine

2-(2-methoxyethylsulfonyl)-N-propylpentan-3-amine (PubChem CID 64647490) has the molecular formula C11H25NO3S and a molecular weight of 251.39 g/mol. Its IUPAC name is 2-(2-methoxyethylsulfonyl)-N-propylpentan-3-amine.

Molecular Properties

Compound Name2-(2-methoxyethylsulfonyl)-N-propylpentan-3-amine
PubChem CID64647490
Molecular FormulaC11H25NO3S
Molecular Weight251.39 g/mol
Exact Mass251.16
IUPAC Name2-(2-methoxyethylsulfonyl)-N-propylpentan-3-amine
SMILESCCCNC(CC)C(C)S(=O)(=O)CCOC
InChIInChI=1S/C11H25NO3S/c1-5-7-12-11(6-2)10(3)16(13,14)9-8-15-4/h10-12H,5-9H2,1-4H3
InChIKeyNPNFDCJGOUHUNL-UHFFFAOYSA-N
XLogP1.21
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methoxyethylsulfonyl)-N-propylbutan-2-amine
CID 64646533
3-(3-methoxypropylsulfonyl)-N-propylbutan-2-amine
CID 64674074
1-methoxy-3-(2-methoxyethylsulfonyl)-N-propylpropan-2-amine
CID 107508592
3-(2-methoxyethylsulfonyl)-N-methylbutan-2-amine
CID 64646902
N-ethyl-2-pentylsulfonylpentan-3-amine
CID 107758688
N-[2-(2-methoxyethylsulfonyl)propyl]butan-1-amine
CID 106513193
2-(oxolan-2-ylmethylsulfonyl)-N-propylpentan-3-amine
CID 106495967
1,5-dimethoxy-2-methyl-N-propylpentan-3-amine
CID 165348363
2-(2-methoxyethylsulfonyl)-N-propan-2-ylpropan-1-amine
CID 106513190
1-methoxy-5-propan-2-ylsulfonyl-N-propylpentan-2-amine
CID 106727271
4-methyl-7-methylsulfonyl-N-propylheptan-3-amine
CID 63562509
4-(3-methylbutan-2-ylsulfonyl)-N-propylbutan-2-amine
CID 107759127

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylsulfonyl)-N-propylpentan-3-amine?
The IUPAC name of 2-(2-methoxyethylsulfonyl)-N-propylpentan-3-amine (CID 64647490) is 2-(2-methoxyethylsulfonyl)-N-propylpentan-3-amine.
What is the SMILES notation for 2-(2-methoxyethylsulfonyl)-N-propylpentan-3-amine?
The canonical SMILES for 2-(2-methoxyethylsulfonyl)-N-propylpentan-3-amine is CCCNC(CC)C(C)S(=O)(=O)CCOC.
What is the InChIKey of 2-(2-methoxyethylsulfonyl)-N-propylpentan-3-amine?
The InChIKey is NPNFDCJGOUHUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO3S/c1-5-7-12-11(6-2)10(3)16(13,14)9-8-15-4/h10-12H,5-9H2,1-4H3.
What are the key properties of 2-(2-methoxyethylsulfonyl)-N-propylpentan-3-amine?
2-(2-methoxyethylsulfonyl)-N-propylpentan-3-amine has a molecular weight of 251.39 g/mol, XLogP of 1.21, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylsulfonyl)-N-propylpentan-3-amine is sourced from PubChem (CID 64647490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).