N-ethyl-1-(3-methoxypropylsulfonyl)pentan-2-amine

C11H25NO3S — CID 64675460

IUPACN-ethyl-1-(3-methoxypropylsulfonyl)pentan-2-amine
SMILESCCCC(CS(=O)(=O)CCCOC)NCC
InChIInChI=1S/C11H25NO3S/c1-4-7-11(12-5-2)10-16(13,14)9-6-8-15-3/h11-12H,4-10H2,1-3H3
InChIKeyRJVCJNAARFAMNJ-UHFFFAOYSA-N
MW251.39 g/mol
LogP1.22
Rot. Bonds10

About N-ethyl-1-(3-methoxypropylsulfonyl)pentan-2-amine

N-ethyl-1-(3-methoxypropylsulfonyl)pentan-2-amine (PubChem CID 64675460) has the molecular formula C11H25NO3S and a molecular weight of 251.39 g/mol. Its IUPAC name is N-ethyl-1-(3-methoxypropylsulfonyl)pentan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(3-methoxypropylsulfonyl)pentan-2-amine
PubChem CID64675460
Molecular FormulaC11H25NO3S
Molecular Weight251.39 g/mol
Exact Mass251.16
IUPAC NameN-ethyl-1-(3-methoxypropylsulfonyl)pentan-2-amine
SMILESCCCC(CS(=O)(=O)CCCOC)NCC
InChIInChI=1S/C11H25NO3S/c1-4-7-11(12-5-2)10-16(13,14)9-6-8-15-3/h11-12H,4-10H2,1-3H3
InChIKeyRJVCJNAARFAMNJ-UHFFFAOYSA-N
XLogP1.22
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-10-methoxydecan-4-amine
CID 104650043
N-ethyl-5-ethylsulfonyl-1-(2-methoxyethoxy)pentan-2-amine
CID 114032839
1-methoxy-3-pentylsulfonyl-N-propylpropan-2-amine
CID 107758651
N-ethyl-1-methoxypentadecan-4-amine
CID 105055072
N-ethyl-1-(3-methoxypropylsulfinyl)pentan-2-amine
CID 64660381
N-ethyl-1-ethylsulfonyldecan-4-amine
CID 115865211
1-methoxy-3-(2-methoxyethylsulfonyl)-N-propylpropan-2-amine
CID 107508592
6-(3-methoxypropylsulfonyl)-N-methylhexan-3-amine
CID 106807839
N-ethyl-1-(2-methoxyphenyl)-2-(3-methoxypropylsulfonyl)ethanamine
CID 64675860
1-methoxy-3-(3-methoxypropylsulfonyl)propan-2-amine
CID 107508649
N-ethyl-1-methoxydecan-2-amine
CID 62320563
3-methoxy-1-(3-methoxypropylsulfonyl)-N,3-dimethylbutan-2-amine
CID 114228834

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-methoxypropylsulfonyl)pentan-2-amine?
The IUPAC name of N-ethyl-1-(3-methoxypropylsulfonyl)pentan-2-amine (CID 64675460) is N-ethyl-1-(3-methoxypropylsulfonyl)pentan-2-amine.
What is the SMILES notation for N-ethyl-1-(3-methoxypropylsulfonyl)pentan-2-amine?
The canonical SMILES for N-ethyl-1-(3-methoxypropylsulfonyl)pentan-2-amine is CCCC(CS(=O)(=O)CCCOC)NCC.
What is the InChIKey of N-ethyl-1-(3-methoxypropylsulfonyl)pentan-2-amine?
The InChIKey is RJVCJNAARFAMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO3S/c1-4-7-11(12-5-2)10-16(13,14)9-6-8-15-3/h11-12H,4-10H2,1-3H3.
What are the key properties of N-ethyl-1-(3-methoxypropylsulfonyl)pentan-2-amine?
N-ethyl-1-(3-methoxypropylsulfonyl)pentan-2-amine has a molecular weight of 251.39 g/mol, XLogP of 1.22, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-methoxypropylsulfonyl)pentan-2-amine is sourced from PubChem (CID 64675460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).