2-methyl-N-propyl-7-propylsulfonylheptan-3-amine

C14H31NO2S — CID 106732296

IUPAC2-methyl-N-propyl-7-propylsulfonylheptan-3-amine
SMILESCCCNC(CCCCS(=O)(=O)CCC)C(C)C
InChIInChI=1S/C14H31NO2S/c1-5-10-15-14(13(3)4)9-7-8-12-18(16,17)11-6-2/h13-15H,5-12H2,1-4H3
InChIKeyINKDVBFLNKGBAT-UHFFFAOYSA-N
MW277.47 g/mol
LogP3.01
Rot. Bonds11

About 2-methyl-N-propyl-7-propylsulfonylheptan-3-amine

2-methyl-N-propyl-7-propylsulfonylheptan-3-amine (PubChem CID 106732296) has the molecular formula C14H31NO2S and a molecular weight of 277.47 g/mol. Its IUPAC name is 2-methyl-N-propyl-7-propylsulfonylheptan-3-amine.

Molecular Properties

Compound Name2-methyl-N-propyl-7-propylsulfonylheptan-3-amine
PubChem CID106732296
Molecular FormulaC14H31NO2S
Molecular Weight277.47 g/mol
Exact Mass277.21
IUPAC Name2-methyl-N-propyl-7-propylsulfonylheptan-3-amine
SMILESCCCNC(CCCCS(=O)(=O)CCC)C(C)C
InChIInChI=1S/C14H31NO2S/c1-5-10-15-14(13(3)4)9-7-8-12-18(16,17)11-6-2/h13-15H,5-12H2,1-4H3
InChIKeyINKDVBFLNKGBAT-UHFFFAOYSA-N
XLogP3.01
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
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

7-ethylsulfonyl-N-propylheptan-2-amine
CID 65096990
3-methyl-2-(2-propylsulfonylethylamino)butan-1-ol
CID 106723970
5-ethylsulfonyl-1,1-dimethoxy-N-propylpentan-2-amine
CID 79493276
8-ethylsulfonyl-2,2-dimethyl-N-propyloctan-3-amine
CID 65097308
1-ethylsulfonyl-5-methoxy-6,6-dimethyl-N-propylheptan-4-amine
CID 116725019
5-methoxy-6-methyl-1-methylsulfonyl-N-propylheptan-4-amine
CID 116720556
8-propylsulfonyloctan-4-amine
CID 106732204
4-bromo-5-methyl-1-propylsulfonylhexane
CID 106729131
7-propylsulfonylheptan-3-ol
CID 106732439
5-bromo-1-propylsulfonylheptane
CID 106732536
7-cyclopentyl-2-methyl-N-propylheptan-3-amine
CID 114192944
N-(2-methylpropyl)-5-propylsulfonylpentan-1-amine
CID 106732243

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-propyl-7-propylsulfonylheptan-3-amine?
The IUPAC name of 2-methyl-N-propyl-7-propylsulfonylheptan-3-amine (CID 106732296) is 2-methyl-N-propyl-7-propylsulfonylheptan-3-amine.
What is the SMILES notation for 2-methyl-N-propyl-7-propylsulfonylheptan-3-amine?
The canonical SMILES for 2-methyl-N-propyl-7-propylsulfonylheptan-3-amine is CCCNC(CCCCS(=O)(=O)CCC)C(C)C.
What is the InChIKey of 2-methyl-N-propyl-7-propylsulfonylheptan-3-amine?
The InChIKey is INKDVBFLNKGBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO2S/c1-5-10-15-14(13(3)4)9-7-8-12-18(16,17)11-6-2/h13-15H,5-12H2,1-4H3.
What are the key properties of 2-methyl-N-propyl-7-propylsulfonylheptan-3-amine?
2-methyl-N-propyl-7-propylsulfonylheptan-3-amine has a molecular weight of 277.47 g/mol, XLogP of 3.01, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-propyl-7-propylsulfonylheptan-3-amine is sourced from PubChem (CID 106732296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).