N-[1-(aminomethyl)cyclopentyl]-2-ethoxyethanesulfonamide

C10H22N2O3S — CID 63245849

IUPACN-[1-(aminomethyl)cyclopentyl]-2-ethoxyethanesulfonamide
SMILESCCOCCS(=O)(=O)NC1(CN)CCCC1
InChIInChI=1S/C10H22N2O3S/c1-2-15-7-8-16(13,14)12-10(9-11)5-3-4-6-10/h12H,2-9,11H2,1H3
InChIKeyCCBCJFWOWUVPOM-UHFFFAOYSA-N
MW250.36 g/mol
LogP0.21
Rot. Bonds7

About N-[1-(aminomethyl)cyclopentyl]-2-ethoxyethanesulfonamide

N-[1-(aminomethyl)cyclopentyl]-2-ethoxyethanesulfonamide (PubChem CID 63245849) has the molecular formula C10H22N2O3S and a molecular weight of 250.36 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-2-ethoxyethanesulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-2-ethoxyethanesulfonamide
PubChem CID63245849
Molecular FormulaC10H22N2O3S
Molecular Weight250.36 g/mol
Exact Mass250.14
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-2-ethoxyethanesulfonamide
SMILESCCOCCS(=O)(=O)NC1(CN)CCCC1
InChIInChI=1S/C10H22N2O3S/c1-2-15-7-8-16(13,14)12-10(9-11)5-3-4-6-10/h12H,2-9,11H2,1H3
InChIKeyCCBCJFWOWUVPOM-UHFFFAOYSA-N
XLogP0.21
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]ethanesulfonamide
CID 28940534
N-[1-(aminomethyl)cyclopentyl]-2-propan-2-yloxyethanesulfonamide
CID 79594262
N-[(1-aminocyclohexyl)methyl]-2-propan-2-yloxyethanesulfonamide
CID 79594656
N-(cyclopentylmethyl)-2-methoxyethanesulfonamide
CID 110307531
N-(cyclopentylmethyl)-2-[(2-methylpropan-2-yl)oxy]ethanesulfonamide
CID 130328348
N-[1-(aminomethyl)cyclopentyl]butane-1-sulfonamide
CID 28940536
N-[1-(aminomethyl)cyclopentyl]propane-1-sulfonamide
CID 28940538
N-[1-(aminomethyl)cyclooctyl]-2-methoxyethanesulfonamide
CID 55009780
N-[1-(aminomethyl)cycloheptyl]-2-methoxyethanesulfonamide
CID 55009781
N-[(1-aminocycloheptyl)methyl]-2-methoxyethanesulfonamide
CID 55014025
N-[1-(aminomethyl)cyclopentyl]-N-methyloxane-4-sulfonamide
CID 55031343
N-[1-(aminomethyl)cycloheptyl]-3-methoxypropane-1-sulfonamide
CID 55172490

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-2-ethoxyethanesulfonamide?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-2-ethoxyethanesulfonamide (CID 63245849) is N-[1-(aminomethyl)cyclopentyl]-2-ethoxyethanesulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-2-ethoxyethanesulfonamide?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-2-ethoxyethanesulfonamide is CCOCCS(=O)(=O)NC1(CN)CCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-2-ethoxyethanesulfonamide?
The InChIKey is CCBCJFWOWUVPOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3S/c1-2-15-7-8-16(13,14)12-10(9-11)5-3-4-6-10/h12H,2-9,11H2,1H3.
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-2-ethoxyethanesulfonamide?
N-[1-(aminomethyl)cyclopentyl]-2-ethoxyethanesulfonamide has a molecular weight of 250.36 g/mol, XLogP of 0.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-2-ethoxyethanesulfonamide is sourced from PubChem (CID 63245849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).