1-(aminomethyl)-N-(2-methoxyethyl)-2-methylsulfonyl-N-pentan-3-ylcyclopentan-1-amine

C15H32N2O3S — CID 65044943

IUPAC1-(aminomethyl)-N-(2-methoxyethyl)-2-methylsulfonyl-N-pentan-3-ylcyclopentan-1-amine
SMILESCCC(CC)N(CCOC)C1(CN)CCCC1S(C)(=O)=O
InChIInChI=1S/C15H32N2O3S/c1-5-13(6-2)17(10-11-20-3)15(12-16)9-7-8-14(15)21(4,18)19/h13-14H,5-12,16H2,1-4H3
InChIKeyUNEVBRVJVVOKDC-UHFFFAOYSA-N
MW320.50 g/mol
LogP1.42
Rot. Bonds9

About 1-(aminomethyl)-N-(2-methoxyethyl)-2-methylsulfonyl-N-pentan-3-ylcyclopentan-1-amine

1-(aminomethyl)-N-(2-methoxyethyl)-2-methylsulfonyl-N-pentan-3-ylcyclopentan-1-amine (PubChem CID 65044943) has the molecular formula C15H32N2O3S and a molecular weight of 320.50 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(2-methoxyethyl)-2-methylsulfonyl-N-pentan-3-ylcyclopentan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-(2-methoxyethyl)-2-methylsulfonyl-N-pentan-3-ylcyclopentan-1-amine
PubChem CID65044943
Molecular FormulaC15H32N2O3S
Molecular Weight320.50 g/mol
Exact Mass320.21
IUPAC Name1-(aminomethyl)-N-(2-methoxyethyl)-2-methylsulfonyl-N-pentan-3-ylcyclopentan-1-amine
SMILESCCC(CC)N(CCOC)C1(CN)CCCC1S(C)(=O)=O
InChIInChI=1S/C15H32N2O3S/c1-5-13(6-2)17(10-11-20-3)15(12-16)9-7-8-14(15)21(4,18)19/h13-14H,5-12,16H2,1-4H3
InChIKeyUNEVBRVJVVOKDC-UHFFFAOYSA-N
XLogP1.42
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.50
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(2-methoxyethyl)-2-methylsulfonyl-N-pentan-3-ylcyclopentan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-(2-methoxyethyl)-2-methylsulfonyl-N-pentan-3-ylcyclopentan-1-amine (CID 65044943) is 1-(aminomethyl)-N-(2-methoxyethyl)-2-methylsulfonyl-N-pentan-3-ylcyclopentan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-(2-methoxyethyl)-2-methylsulfonyl-N-pentan-3-ylcyclopentan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-(2-methoxyethyl)-2-methylsulfonyl-N-pentan-3-ylcyclopentan-1-amine is CCC(CC)N(CCOC)C1(CN)CCCC1S(C)(=O)=O.
What is the InChIKey of 1-(aminomethyl)-N-(2-methoxyethyl)-2-methylsulfonyl-N-pentan-3-ylcyclopentan-1-amine?
The InChIKey is UNEVBRVJVVOKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O3S/c1-5-13(6-2)17(10-11-20-3)15(12-16)9-7-8-14(15)21(4,18)19/h13-14H,5-12,16H2,1-4H3.
What are the key properties of 1-(aminomethyl)-N-(2-methoxyethyl)-2-methylsulfonyl-N-pentan-3-ylcyclopentan-1-amine?
1-(aminomethyl)-N-(2-methoxyethyl)-2-methylsulfonyl-N-pentan-3-ylcyclopentan-1-amine has a molecular weight of 320.50 g/mol, XLogP of 1.42, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(2-methoxyethyl)-2-methylsulfonyl-N-pentan-3-ylcyclopentan-1-amine is sourced from PubChem (CID 65044943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).