N-methyl-4-propylsulfonylpentan-2-amine

C9H21NO2S — CID 64703585

IUPACN-methyl-4-propylsulfonylpentan-2-amine
SMILESCCCS(=O)(=O)C(C)CC(C)NC
InChIInChI=1S/C9H21NO2S/c1-5-6-13(11,12)9(3)7-8(2)10-4/h8-10H,5-7H2,1-4H3
InChIKeyUIOJWZMLMVYIAJ-UHFFFAOYSA-N
MW207.34 g/mol
LogP1.20
Rot. Bonds6

About N-methyl-4-propylsulfonylpentan-2-amine

N-methyl-4-propylsulfonylpentan-2-amine (PubChem CID 64703585) has the molecular formula C9H21NO2S and a molecular weight of 207.34 g/mol. Its IUPAC name is N-methyl-4-propylsulfonylpentan-2-amine.

Molecular Properties

Compound NameN-methyl-4-propylsulfonylpentan-2-amine
PubChem CID64703585
Molecular FormulaC9H21NO2S
Molecular Weight207.34 g/mol
Exact Mass207.13
IUPAC NameN-methyl-4-propylsulfonylpentan-2-amine
SMILESCCCS(=O)(=O)C(C)CC(C)NC
InChIInChI=1S/C9H21NO2S/c1-5-6-13(11,12)9(3)7-8(2)10-4/h8-10H,5-7H2,1-4H3
InChIKeyUIOJWZMLMVYIAJ-UHFFFAOYSA-N
XLogP1.20
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-methoxypropylsulfonyl)-N-methylpentan-2-amine
CID 64704596
N-[2-(methylamino)propyl]propane-1-sulfonamide
CID 103512489
N,4-dimethyl-6-propylsulfonylhexan-2-amine
CID 106732347
4-butylsulfonyl-N-ethylpentan-2-amine
CID 64704591
2-propylsulfonylpropan-1-amine
CID 64697615
N-(2-propylsulfonylpropyl)pentan-3-amine
CID 106513322
N-methyl-4-(oxolan-2-ylmethylsulfonyl)pentan-2-amine
CID 106496026
1-(1-chloroethylsulfonyl)propane
CID 23323737
N-methyl-1-pentylsulfonylpropan-2-amine
CID 107758535
4-cyclohexylsulfonyl-N-methylpentan-2-amine
CID 64704594
6-ethylsulfonyl-N,4,4-trimethylhexan-2-amine
CID 106732362
4-butylsulfinyl-N-methylpentan-2-amine
CID 64703029

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-propylsulfonylpentan-2-amine?
The IUPAC name of N-methyl-4-propylsulfonylpentan-2-amine (CID 64703585) is N-methyl-4-propylsulfonylpentan-2-amine.
What is the SMILES notation for N-methyl-4-propylsulfonylpentan-2-amine?
The canonical SMILES for N-methyl-4-propylsulfonylpentan-2-amine is CCCS(=O)(=O)C(C)CC(C)NC.
What is the InChIKey of N-methyl-4-propylsulfonylpentan-2-amine?
The InChIKey is UIOJWZMLMVYIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2S/c1-5-6-13(11,12)9(3)7-8(2)10-4/h8-10H,5-7H2,1-4H3.
What are the key properties of N-methyl-4-propylsulfonylpentan-2-amine?
N-methyl-4-propylsulfonylpentan-2-amine has a molecular weight of 207.34 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-propylsulfonylpentan-2-amine is sourced from PubChem (CID 64703585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).