N-(2-propylsulfonylpropyl)pentan-3-amine

C11H25NO2S — CID 106513322

IUPACN-(2-propylsulfonylpropyl)pentan-3-amine
SMILESCCCS(=O)(=O)C(C)CNC(CC)CC
InChIInChI=1S/C11H25NO2S/c1-5-8-15(13,14)10(4)9-12-11(6-2)7-3/h10-12H,5-9H2,1-4H3
InChIKeyQVTFERBQQPHBRD-UHFFFAOYSA-N
MW235.39 g/mol
LogP1.98
Rot. Bonds8

About N-(2-propylsulfonylpropyl)pentan-3-amine

N-(2-propylsulfonylpropyl)pentan-3-amine (PubChem CID 106513322) has the molecular formula C11H25NO2S and a molecular weight of 235.39 g/mol. Its IUPAC name is N-(2-propylsulfonylpropyl)pentan-3-amine.

Molecular Properties

Compound NameN-(2-propylsulfonylpropyl)pentan-3-amine
PubChem CID106513322
Molecular FormulaC11H25NO2S
Molecular Weight235.39 g/mol
Exact Mass235.16
IUPAC NameN-(2-propylsulfonylpropyl)pentan-3-amine
SMILESCCCS(=O)(=O)C(C)CNC(CC)CC
InChIInChI=1S/C11H25NO2S/c1-5-8-15(13,14)10(4)9-12-11(6-2)7-3/h10-12H,5-9H2,1-4H3
InChIKeyQVTFERBQQPHBRD-UHFFFAOYSA-N
XLogP1.98
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.39
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-methylpropylsulfonyl)propyl]pentan-3-amine
CID 106512934
2-propylsulfonylpropan-1-amine
CID 64697615
N-methyl-4-propylsulfonylpentan-2-amine
CID 64703585
N-pentan-3-yl-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106032073
2-(2-methoxyethylsulfonyl)-N-propan-2-ylpropan-1-amine
CID 106513190
2-methyl-N-pentan-3-ylpentan-1-amine
CID 43204323
1-(1-chloroethylsulfonyl)propane
CID 23323737
3-methyl-N-pentan-3-yl-2-propan-2-ylbutan-1-amine
CID 102904025
N-(2-methylsulfonylethyl)pentan-3-amine
CID 60711918
1-butan-2-ylsulfonylpentane
CID 159645630
2-pentylsulfonyl-N-prop-2-ynylpropan-1-amine
CID 107757199
N-(1-chlorobutan-2-yl)propane-1-sulfonamide
CID 65033874

Frequently Asked Questions

What is the IUPAC name of N-(2-propylsulfonylpropyl)pentan-3-amine?
The IUPAC name of N-(2-propylsulfonylpropyl)pentan-3-amine (CID 106513322) is N-(2-propylsulfonylpropyl)pentan-3-amine.
What is the SMILES notation for N-(2-propylsulfonylpropyl)pentan-3-amine?
The canonical SMILES for N-(2-propylsulfonylpropyl)pentan-3-amine is CCCS(=O)(=O)C(C)CNC(CC)CC.
What is the InChIKey of N-(2-propylsulfonylpropyl)pentan-3-amine?
The InChIKey is QVTFERBQQPHBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2S/c1-5-8-15(13,14)10(4)9-12-11(6-2)7-3/h10-12H,5-9H2,1-4H3.
What are the key properties of N-(2-propylsulfonylpropyl)pentan-3-amine?
N-(2-propylsulfonylpropyl)pentan-3-amine has a molecular weight of 235.39 g/mol, XLogP of 1.98, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propylsulfonylpropyl)pentan-3-amine is sourced from PubChem (CID 106513322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).