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

C10H23NO3S — CID 64646533

IUPAC3-(2-methoxyethylsulfonyl)-N-propylbutan-2-amine
SMILESCCCNC(C)C(C)S(=O)(=O)CCOC
InChIInChI=1S/C10H23NO3S/c1-5-6-11-9(2)10(3)15(12,13)8-7-14-4/h9-11H,5-8H2,1-4H3
InChIKeyPLBDRBCDFFMMDX-UHFFFAOYSA-N
MW237.36 g/mol
LogP0.82
Rot. Bonds8

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

3-(2-methoxyethylsulfonyl)-N-propylbutan-2-amine (PubChem CID 64646533) has the molecular formula C10H23NO3S and a molecular weight of 237.36 g/mol. Its IUPAC name is 3-(2-methoxyethylsulfonyl)-N-propylbutan-2-amine.

Molecular Properties

Compound Name3-(2-methoxyethylsulfonyl)-N-propylbutan-2-amine
PubChem CID64646533
Molecular FormulaC10H23NO3S
Molecular Weight237.36 g/mol
Exact Mass237.14
IUPAC Name3-(2-methoxyethylsulfonyl)-N-propylbutan-2-amine
SMILESCCCNC(C)C(C)S(=O)(=O)CCOC
InChIInChI=1S/C10H23NO3S/c1-5-6-11-9(2)10(3)15(12,13)8-7-14-4/h9-11H,5-8H2,1-4H3
InChIKeyPLBDRBCDFFMMDX-UHFFFAOYSA-N
XLogP0.82
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.36
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-methoxypropylsulfonyl)-N-propylbutan-2-amine
CID 64674074
2-(2-methoxyethylsulfonyl)-N-propylpentan-3-amine
CID 64647490
3-(2-methoxyethylsulfonyl)-N-methylbutan-2-amine
CID 64646902
methyl 2-[3-(propylamino)butan-2-ylsulfonyl]acetate
CID 64675960
1-methoxy-3-(2-methoxyethylsulfonyl)-N-propylpropan-2-amine
CID 107508592
N-[2-(2-methoxyethylsulfonyl)propyl]butan-1-amine
CID 106513193
2-(2-methoxyethylsulfonyl)-N-propan-2-ylpropan-1-amine
CID 106513190
3-N-(2-methoxyethyl)-3-N-propan-2-yl-2-N-propylbutane-2,3-diamine
CID 82949086
1-methoxy-5-propan-2-ylsulfonyl-N-propylpentan-2-amine
CID 106727271
4-(3-methylbutan-2-ylsulfonyl)-N-propylbutan-2-amine
CID 107759127
6-methoxy-1-methylsulfonyl-N-propylhexan-3-amine
CID 65092471
1-methoxy-3-pentylsulfonyl-N-propylpropan-2-amine
CID 107758651

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethylsulfonyl)-N-propylbutan-2-amine?
The IUPAC name of 3-(2-methoxyethylsulfonyl)-N-propylbutan-2-amine (CID 64646533) is 3-(2-methoxyethylsulfonyl)-N-propylbutan-2-amine.
What is the SMILES notation for 3-(2-methoxyethylsulfonyl)-N-propylbutan-2-amine?
The canonical SMILES for 3-(2-methoxyethylsulfonyl)-N-propylbutan-2-amine is CCCNC(C)C(C)S(=O)(=O)CCOC.
What is the InChIKey of 3-(2-methoxyethylsulfonyl)-N-propylbutan-2-amine?
The InChIKey is PLBDRBCDFFMMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO3S/c1-5-6-11-9(2)10(3)15(12,13)8-7-14-4/h9-11H,5-8H2,1-4H3.
What are the key properties of 3-(2-methoxyethylsulfonyl)-N-propylbutan-2-amine?
3-(2-methoxyethylsulfonyl)-N-propylbutan-2-amine has a molecular weight of 237.36 g/mol, XLogP of 0.82, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethylsulfonyl)-N-propylbutan-2-amine is sourced from PubChem (CID 64646533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).