N-methyl-1-pentylsulfonylpropan-2-amine

C9H21NO2S — CID 107758535

IUPACN-methyl-1-pentylsulfonylpropan-2-amine
SMILESCCCCCS(=O)(=O)CC(C)NC
InChIInChI=1S/C9H21NO2S/c1-4-5-6-7-13(11,12)8-9(2)10-3/h9-10H,4-8H2,1-3H3
InChIKeyXUSFUZAFJZDTTA-UHFFFAOYSA-N
MW207.34 g/mol
LogP1.20
Rot. Bonds7

About N-methyl-1-pentylsulfonylpropan-2-amine

N-methyl-1-pentylsulfonylpropan-2-amine (PubChem CID 107758535) has the molecular formula C9H21NO2S and a molecular weight of 207.34 g/mol. Its IUPAC name is N-methyl-1-pentylsulfonylpropan-2-amine.

Molecular Properties

Compound NameN-methyl-1-pentylsulfonylpropan-2-amine
PubChem CID107758535
Molecular FormulaC9H21NO2S
Molecular Weight207.34 g/mol
Exact Mass207.13
IUPAC NameN-methyl-1-pentylsulfonylpropan-2-amine
SMILESCCCCCS(=O)(=O)CC(C)NC
InChIInChI=1S/C9H21NO2S/c1-4-5-6-7-13(11,12)8-9(2)10-3/h9-10H,4-8H2,1-3H3
InChIKeyXUSFUZAFJZDTTA-UHFFFAOYSA-N
XLogP1.20
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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

Computed Properties (RDKit)

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

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Related Compounds

N,3,3-trimethyl-1-pentylsulfonylbutan-2-amine
CID 107758506
1-octylsulfonylnonane
CID 19089492
1-ethylsulfonylheptane
CID 19089519
N-methyl-6-pentylsulfonylhexan-3-amine
CID 107758584
2-methyl-3-pentylsulfonylpropanenitrile
CID 107766791
1-(octylsulfonylmethylsulfonyl)octane
CID 3455822
1-(nonylsulfonylmethylsulfonyl)nonane
CID 139912693
N-(1-ethylsulfonylpropan-2-yl)hexan-1-amine
CID 115900569
1-bromo-3-methyl-2-(pentylsulfonylmethyl)butane
CID 107746997
1-(3-methylbutylsulfonyl)-N-propylpropan-2-amine
CID 107760352
N-(3-ethylsulfonylpropyl)heptan-2-amine
CID 65093312
3-butylsulfonyl-2-methylpropan-1-amine
CID 64698847

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-pentylsulfonylpropan-2-amine?
The IUPAC name of N-methyl-1-pentylsulfonylpropan-2-amine (CID 107758535) is N-methyl-1-pentylsulfonylpropan-2-amine.
What is the SMILES notation for N-methyl-1-pentylsulfonylpropan-2-amine?
The canonical SMILES for N-methyl-1-pentylsulfonylpropan-2-amine is CCCCCS(=O)(=O)CC(C)NC.
What is the InChIKey of N-methyl-1-pentylsulfonylpropan-2-amine?
The InChIKey is XUSFUZAFJZDTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2S/c1-4-5-6-7-13(11,12)8-9(2)10-3/h9-10H,4-8H2,1-3H3.
What are the key properties of N-methyl-1-pentylsulfonylpropan-2-amine?
N-methyl-1-pentylsulfonylpropan-2-amine has a molecular weight of 207.34 g/mol, XLogP of 1.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-pentylsulfonylpropan-2-amine is sourced from PubChem (CID 107758535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).