6-(3-methoxypropylsulfonyl)-N-methylhexan-3-amine

C11H25NO3S — CID 106807839

IUPAC6-(3-methoxypropylsulfonyl)-N-methylhexan-3-amine
SMILESCCC(CCCS(=O)(=O)CCCOC)NC
InChIInChI=1S/C11H25NO3S/c1-4-11(12-2)7-5-9-16(13,14)10-6-8-15-3/h11-12H,4-10H2,1-3H3
InChIKeyMPZXTYWPVGSDOQ-UHFFFAOYSA-N
MW251.39 g/mol
LogP1.22
Rot. Bonds10

About 6-(3-methoxypropylsulfonyl)-N-methylhexan-3-amine

6-(3-methoxypropylsulfonyl)-N-methylhexan-3-amine (PubChem CID 106807839) has the molecular formula C11H25NO3S and a molecular weight of 251.39 g/mol. Its IUPAC name is 6-(3-methoxypropylsulfonyl)-N-methylhexan-3-amine.

Molecular Properties

Compound Name6-(3-methoxypropylsulfonyl)-N-methylhexan-3-amine
PubChem CID106807839
Molecular FormulaC11H25NO3S
Molecular Weight251.39 g/mol
Exact Mass251.16
IUPAC Name6-(3-methoxypropylsulfonyl)-N-methylhexan-3-amine
SMILESCCC(CCCS(=O)(=O)CCCOC)NC
InChIInChI=1S/C11H25NO3S/c1-4-11(12-2)7-5-9-16(13,14)10-6-8-15-3/h11-12H,4-10H2,1-3H3
InChIKeyMPZXTYWPVGSDOQ-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-methyl-6-pentylsulfonylhexan-3-amine
CID 107758584
3-(3-methoxypropylsulfonyl)-N-methylpropan-1-amine
CID 64675855
7-methoxy-N,7-dimethyloctan-3-amine
CID 103034550
5-ethylsulfonyl-N-methyl-1-methylsulfonylpentan-2-amine
CID 115646738
5-ethyl-1-ethylsulfonyl-5-methoxy-N-methylheptan-4-amine
CID 116760878
N-ethyl-1-(3-methoxypropylsulfonyl)pentan-2-amine
CID 64675460
5-ethylsulfonyl-N-methyl-1-(2,2,2-trifluoroethoxy)pentan-2-amine
CID 103215423
N-ethyl-5-ethylsulfonyl-1-(2-methoxyethoxy)pentan-2-amine
CID 114032839
3-methoxy-1-(3-methoxypropylsulfonyl)-N,3-dimethylbutan-2-amine
CID 114228834
6-butoxy-N-methylhexan-3-amine
CID 61483969
2-ethyl-5-ethylsulfonyl-N-(2-methoxyethyl)pentan-1-amine
CID 65097077
1-chloro-6-(3-methoxypropylsulfonyl)hexane
CID 63857365

Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxypropylsulfonyl)-N-methylhexan-3-amine?
The IUPAC name of 6-(3-methoxypropylsulfonyl)-N-methylhexan-3-amine (CID 106807839) is 6-(3-methoxypropylsulfonyl)-N-methylhexan-3-amine.
What is the SMILES notation for 6-(3-methoxypropylsulfonyl)-N-methylhexan-3-amine?
The canonical SMILES for 6-(3-methoxypropylsulfonyl)-N-methylhexan-3-amine is CCC(CCCS(=O)(=O)CCCOC)NC.
What is the InChIKey of 6-(3-methoxypropylsulfonyl)-N-methylhexan-3-amine?
The InChIKey is MPZXTYWPVGSDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO3S/c1-4-11(12-2)7-5-9-16(13,14)10-6-8-15-3/h11-12H,4-10H2,1-3H3.
What are the key properties of 6-(3-methoxypropylsulfonyl)-N-methylhexan-3-amine?
6-(3-methoxypropylsulfonyl)-N-methylhexan-3-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 6-(3-methoxypropylsulfonyl)-N-methylhexan-3-amine is sourced from PubChem (CID 106807839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).