1-(aminomethyl)-N-(2-methoxyethyl)-2-methylsulfonylcyclopentan-1-amine

C10H22N2O3S — CID 65044744

IUPAC1-(aminomethyl)-N-(2-methoxyethyl)-2-methylsulfonylcyclopentan-1-amine
SMILESCOCCNC1(CN)CCCC1S(C)(=O)=O
InChIInChI=1S/C10H22N2O3S/c1-15-7-6-12-10(8-11)5-3-4-9(10)16(2,13)14/h9,12H,3-8,11H2,1-2H3
InChIKeyQMNVNEZLLSEAHN-UHFFFAOYSA-N
MW250.36 g/mol
LogP-0.48
Rot. Bonds6

About 1-(aminomethyl)-N-(2-methoxyethyl)-2-methylsulfonylcyclopentan-1-amine

1-(aminomethyl)-N-(2-methoxyethyl)-2-methylsulfonylcyclopentan-1-amine (PubChem CID 65044744) has the molecular formula C10H22N2O3S and a molecular weight of 250.36 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(2-methoxyethyl)-2-methylsulfonylcyclopentan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-(2-methoxyethyl)-2-methylsulfonylcyclopentan-1-amine
PubChem CID65044744
Molecular FormulaC10H22N2O3S
Molecular Weight250.36 g/mol
Exact Mass250.14
IUPAC Name1-(aminomethyl)-N-(2-methoxyethyl)-2-methylsulfonylcyclopentan-1-amine
SMILESCOCCNC1(CN)CCCC1S(C)(=O)=O
InChIInChI=1S/C10H22N2O3S/c1-15-7-6-12-10(8-11)5-3-4-9(10)16(2,13)14/h9,12H,3-8,11H2,1-2H3
InChIKeyQMNVNEZLLSEAHN-UHFFFAOYSA-N
XLogP-0.48
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[1-(2-methoxyethylamino)-2-methylsulfonylcyclopentyl]methanol
CID 65049891
1-(aminomethyl)-2-methylsulfonyl-N-(oxolan-2-ylmethyl)cyclopentan-1-amine
CID 65377356
2-[2-methylsulfonyl-1-(propylamino)cyclopentyl]acetic acid
CID 65233577
[1-(2-methoxyethylamino)-2-methylcyclopentyl]methanol
CID 65049890
1-(aminomethyl)-2-methylsulfonylcyclopentan-1-amine
CID 65045771
1-(aminomethyl)-N-(2-methoxyethyl)-2-methylsulfonyl-N-pentan-3-ylcyclopentan-1-amine
CID 65044943
1-(aminomethyl)-N-(2-methoxyethyl)-2,4,4-trimethylcyclohexan-1-amine
CID 81320431
3-[1-(aminomethyl)-2-methylsulfonylcyclopentyl]oxypropan-1-ol
CID 103377338
1-(aminomethyl)-2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclopentan-1-amine
CID 114466686
methyl 2-(1-amino-2-methylsulfonylcyclopentyl)acetate
CID 79848202
1-(aminomethyl)-2-methyl-N-propylcyclopentan-1-amine
CID 65045216
1-(aminomethyl)-N-methyl-2-methylsulfonyl-N-propan-2-ylcyclopentan-1-amine
CID 65045921

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(2-methoxyethyl)-2-methylsulfonylcyclopentan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-(2-methoxyethyl)-2-methylsulfonylcyclopentan-1-amine (CID 65044744) is 1-(aminomethyl)-N-(2-methoxyethyl)-2-methylsulfonylcyclopentan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-(2-methoxyethyl)-2-methylsulfonylcyclopentan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-(2-methoxyethyl)-2-methylsulfonylcyclopentan-1-amine is COCCNC1(CN)CCCC1S(C)(=O)=O.
What is the InChIKey of 1-(aminomethyl)-N-(2-methoxyethyl)-2-methylsulfonylcyclopentan-1-amine?
The InChIKey is QMNVNEZLLSEAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3S/c1-15-7-6-12-10(8-11)5-3-4-9(10)16(2,13)14/h9,12H,3-8,11H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N-(2-methoxyethyl)-2-methylsulfonylcyclopentan-1-amine?
1-(aminomethyl)-N-(2-methoxyethyl)-2-methylsulfonylcyclopentan-1-amine has a molecular weight of 250.36 g/mol, XLogP of -0.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(2-methoxyethyl)-2-methylsulfonylcyclopentan-1-amine is sourced from PubChem (CID 65044744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).