N-(1-methylsulfonylpropan-2-yl)heptan-1-amine

C11H25NO2S — CID 64629373

IUPACN-(1-methylsulfonylpropan-2-yl)heptan-1-amine
SMILESCCCCCCCNC(C)CS(C)(=O)=O
InChIInChI=1S/C11H25NO2S/c1-4-5-6-7-8-9-12-11(2)10-15(3,13)14/h11-12H,4-10H2,1-3H3
InChIKeyMJUAZZMBQDBCLC-UHFFFAOYSA-N
MW235.39 g/mol
LogP1.98
Rot. Bonds9

About N-(1-methylsulfonylpropan-2-yl)heptan-1-amine

N-(1-methylsulfonylpropan-2-yl)heptan-1-amine (PubChem CID 64629373) has the molecular formula C11H25NO2S and a molecular weight of 235.39 g/mol. Its IUPAC name is N-(1-methylsulfonylpropan-2-yl)heptan-1-amine.

Molecular Properties

Compound NameN-(1-methylsulfonylpropan-2-yl)heptan-1-amine
PubChem CID64629373
Molecular FormulaC11H25NO2S
Molecular Weight235.39 g/mol
Exact Mass235.16
IUPAC NameN-(1-methylsulfonylpropan-2-yl)heptan-1-amine
SMILESCCCCCCCNC(C)CS(C)(=O)=O
InChIInChI=1S/C11H25NO2S/c1-4-5-6-7-8-9-12-11(2)10-15(3,13)14/h11-12H,4-10H2,1-3H3
InChIKeyMJUAZZMBQDBCLC-UHFFFAOYSA-N
XLogP1.98
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
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

Computed Properties (RDKit)

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

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Related Compounds

N-(1-ethylsulfonylpropan-2-yl)hexan-1-amine
CID 115900569
sodium;2-(dodecylamino)propane-1-sulfonic acid;hydride
CID 173241970
5-(1-methylsulfonylpropan-2-ylamino)pentan-2-ol
CID 107270412
N-(3-methylsulfonylpropyl)octan-2-amine
CID 61019374
1-methylsulfonyl-N-(2-propylsulfonylethyl)propan-2-amine
CID 106723818
(2S)-2-(hexylamino)propan-1-ol
CID 88509072
N-butan-2-ylundecan-1-amine
CID 151961423
N-butan-2-yldodecan-1-amine
CID 63489622
N-(2-methylsulfonylethyl)nonan-2-amine
CID 60920601
3-(octylamino)butane-1-sulfonic acid
CID 146216450
2-methyl-5-(1-methylsulfonylpropan-2-ylamino)pentan-1-ol
CID 103914602
N-octan-2-ylnonan-1-amine
CID 63491715

Frequently Asked Questions

What is the IUPAC name of N-(1-methylsulfonylpropan-2-yl)heptan-1-amine?
The IUPAC name of N-(1-methylsulfonylpropan-2-yl)heptan-1-amine (CID 64629373) is N-(1-methylsulfonylpropan-2-yl)heptan-1-amine.
What is the SMILES notation for N-(1-methylsulfonylpropan-2-yl)heptan-1-amine?
The canonical SMILES for N-(1-methylsulfonylpropan-2-yl)heptan-1-amine is CCCCCCCNC(C)CS(C)(=O)=O.
What is the InChIKey of N-(1-methylsulfonylpropan-2-yl)heptan-1-amine?
The InChIKey is MJUAZZMBQDBCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2S/c1-4-5-6-7-8-9-12-11(2)10-15(3,13)14/h11-12H,4-10H2,1-3H3.
What are the key properties of N-(1-methylsulfonylpropan-2-yl)heptan-1-amine?
N-(1-methylsulfonylpropan-2-yl)heptan-1-amine has a molecular weight of 235.39 g/mol, XLogP of 1.98, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylsulfonylpropan-2-yl)heptan-1-amine is sourced from PubChem (CID 64629373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).