N,3-dimethyl-4-(2-methylsulfonylethyl)nonan-4-amine

C14H31NO2S — CID 91543748

IUPACN,3-dimethyl-4-(2-methylsulfonylethyl)nonan-4-amine
SMILESCCCCCC(CCS(C)(=O)=O)(NC)C(C)CC
InChIInChI=1S/C14H31NO2S/c1-6-8-9-10-14(15-4,13(3)7-2)11-12-18(5,16)17/h13,15H,6-12H2,1-5H3
InChIKeyVTZGHDXGZBJISU-UHFFFAOYSA-N
MW277.47 g/mol
LogP3.01
Rot. Bonds10

About N,3-dimethyl-4-(2-methylsulfonylethyl)nonan-4-amine

N,3-dimethyl-4-(2-methylsulfonylethyl)nonan-4-amine (PubChem CID 91543748) has the molecular formula C14H31NO2S and a molecular weight of 277.47 g/mol. Its IUPAC name is N,3-dimethyl-4-(2-methylsulfonylethyl)nonan-4-amine.

Molecular Properties

Compound NameN,3-dimethyl-4-(2-methylsulfonylethyl)nonan-4-amine
PubChem CID91543748
Molecular FormulaC14H31NO2S
Molecular Weight277.47 g/mol
Exact Mass277.21
IUPAC NameN,3-dimethyl-4-(2-methylsulfonylethyl)nonan-4-amine
SMILESCCCCCC(CCS(C)(=O)=O)(NC)C(C)CC
InChIInChI=1S/C14H31NO2S/c1-6-8-9-10-14(15-4,13(3)7-2)11-12-18(5,16)17/h13,15H,6-12H2,1-5H3
InChIKeyVTZGHDXGZBJISU-UHFFFAOYSA-N
XLogP3.01
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.47
LogP ≤ 53.01
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

N-[2-fluoro-2-(3-methylsulfonylcyclohexyl)ethyl]-2-methylpropan-2-amine
CID 113960486
3-(2-Propylpyrrolidin-2-yl)thiane 1,1-dioxide
CID 57306633
2-ethyl-N-(3-methylsulfonylpropyl)hexan-1-amine
CID 60069675
N-methyl-1-(propan-2-ylsulfonylmethyl)cyclohexan-1-amine
CID 68320767
N-methyl-1-(2-methylbutan-2-ylsulfonylmethyl)cyclohexan-1-amine
CID 68320880
(3R)-6-(1,1-dioxothian-2-yl)-N,2-dimethylhexan-3-amine
CID 68324263
N-methyl-1-(methylsulfonylmethyl)cyclohexan-1-amine
CID 70997022
N-methyl-1-(3-methylpentan-3-ylsulfonylmethyl)cyclohexan-1-amine
CID 70997023
1-(ethylsulfonylmethyl)-N-methylcyclohexan-1-amine
CID 70997055
1-(tert-butylsulfonylmethyl)-N-methylcyclohexan-1-amine
CID 71052900
5-Methyl-4-methylsulfonyldecan-1-amine
CID 88374255
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CID 118178441

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-4-(2-methylsulfonylethyl)nonan-4-amine?
The IUPAC name of N,3-dimethyl-4-(2-methylsulfonylethyl)nonan-4-amine (CID 91543748) is N,3-dimethyl-4-(2-methylsulfonylethyl)nonan-4-amine.
What is the SMILES notation for N,3-dimethyl-4-(2-methylsulfonylethyl)nonan-4-amine?
The canonical SMILES for N,3-dimethyl-4-(2-methylsulfonylethyl)nonan-4-amine is CCCCCC(CCS(C)(=O)=O)(NC)C(C)CC.
What is the InChIKey of N,3-dimethyl-4-(2-methylsulfonylethyl)nonan-4-amine?
The InChIKey is VTZGHDXGZBJISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO2S/c1-6-8-9-10-14(15-4,13(3)7-2)11-12-18(5,16)17/h13,15H,6-12H2,1-5H3.
What are the key properties of N,3-dimethyl-4-(2-methylsulfonylethyl)nonan-4-amine?
N,3-dimethyl-4-(2-methylsulfonylethyl)nonan-4-amine has a molecular weight of 277.47 g/mol, XLogP of 3.01, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-4-(2-methylsulfonylethyl)nonan-4-amine is sourced from PubChem (CID 91543748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).