6-methylsulfonyl-2-propylhexan-1-amine

C10H23NO2S — CID 59142037

IUPAC6-methylsulfonyl-2-propylhexan-1-amine
SMILESCCCC(CN)CCCCS(C)(=O)=O
InChIInChI=1S/C10H23NO2S/c1-3-6-10(9-11)7-4-5-8-14(2,12)13/h10H,3-9,11H2,1-2H3
InChIKeyAMZNNSMPVNNEJJ-UHFFFAOYSA-N
MW221.37 g/mol
LogP1.58
Rot. Bonds8

About 6-methylsulfonyl-2-propylhexan-1-amine

6-methylsulfonyl-2-propylhexan-1-amine (PubChem CID 59142037) has the molecular formula C10H23NO2S and a molecular weight of 221.37 g/mol. Its IUPAC name is 6-methylsulfonyl-2-propylhexan-1-amine.

Molecular Properties

Compound Name6-methylsulfonyl-2-propylhexan-1-amine
PubChem CID59142037
Molecular FormulaC10H23NO2S
Molecular Weight221.37 g/mol
Exact Mass221.14
IUPAC Name6-methylsulfonyl-2-propylhexan-1-amine
SMILESCCCC(CN)CCCCS(C)(=O)=O
InChIInChI=1S/C10H23NO2S/c1-3-6-10(9-11)7-4-5-8-14(2,12)13/h10H,3-9,11H2,1-2H3
InChIKeyAMZNNSMPVNNEJJ-UHFFFAOYSA-N
XLogP1.58
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-propylheptan-1-amine
CID 21267775
7-(3-methylsulfonylpropyl)tridecane
CID 134251360
(2S)-2-hexyldecan-1-amine
CID 129368307
2-hexyloctadecan-1-amine
CID 87546751
2-dodecylhexadecan-1-amine
CID 23048605
2-butylhexan-1-amine
CID 54041151
1-methylsulfonylnonane
CID 19089493
2-propylheptane-1-sulfonamide
CID 87086991
2-propyldec-9-en-1-amine
CID 87482159
9-methylsulfonylnonan-1-amine
CID 101417644
1-chloro-2-(chloromethyl)-5-methylsulfonylpentane
CID 79447366
2-(fluoromethyl)henicosan-1-amine
CID 175054402

Frequently Asked Questions

What is the IUPAC name of 6-methylsulfonyl-2-propylhexan-1-amine?
The IUPAC name of 6-methylsulfonyl-2-propylhexan-1-amine (CID 59142037) is 6-methylsulfonyl-2-propylhexan-1-amine.
What is the SMILES notation for 6-methylsulfonyl-2-propylhexan-1-amine?
The canonical SMILES for 6-methylsulfonyl-2-propylhexan-1-amine is CCCC(CN)CCCCS(C)(=O)=O.
What is the InChIKey of 6-methylsulfonyl-2-propylhexan-1-amine?
The InChIKey is AMZNNSMPVNNEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2S/c1-3-6-10(9-11)7-4-5-8-14(2,12)13/h10H,3-9,11H2,1-2H3.
What are the key properties of 6-methylsulfonyl-2-propylhexan-1-amine?
6-methylsulfonyl-2-propylhexan-1-amine has a molecular weight of 221.37 g/mol, XLogP of 1.58, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfonyl-2-propylhexan-1-amine is sourced from PubChem (CID 59142037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).