N-[2-(3-methylbutan-2-ylsulfonyl)ethyl]butan-1-amine

C11H25NO2S — CID 107757362

IUPACN-[2-(3-methylbutan-2-ylsulfonyl)ethyl]butan-1-amine
SMILESCCCCNCCS(=O)(=O)C(C)C(C)C
InChIInChI=1S/C11H25NO2S/c1-5-6-7-12-8-9-15(13,14)11(4)10(2)3/h10-12H,5-9H2,1-4H3
InChIKeyYGORMOINOANKSZ-UHFFFAOYSA-N
MW235.39 g/mol
LogP1.84
Rot. Bonds8

About N-[2-(3-methylbutan-2-ylsulfonyl)ethyl]butan-1-amine

N-[2-(3-methylbutan-2-ylsulfonyl)ethyl]butan-1-amine (PubChem CID 107757362) has the molecular formula C11H25NO2S and a molecular weight of 235.39 g/mol. Its IUPAC name is N-[2-(3-methylbutan-2-ylsulfonyl)ethyl]butan-1-amine.

Molecular Properties

Compound NameN-[2-(3-methylbutan-2-ylsulfonyl)ethyl]butan-1-amine
PubChem CID107757362
Molecular FormulaC11H25NO2S
Molecular Weight235.39 g/mol
Exact Mass235.16
IUPAC NameN-[2-(3-methylbutan-2-ylsulfonyl)ethyl]butan-1-amine
SMILESCCCCNCCS(=O)(=O)C(C)C(C)C
InChIInChI=1S/C11H25NO2S/c1-5-6-7-12-8-9-15(13,14)11(4)10(2)3/h10-12H,5-9H2,1-4H3
InChIKeyYGORMOINOANKSZ-UHFFFAOYSA-N
XLogP1.84
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 ≤ 51.84
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',N'-dimethyl-N-[2-(3-methylbutan-2-ylsulfonyl)ethyl]propane-1,3-diamine
CID 107757347
N-(2-butan-2-ylsulfonylethyl)pentan-1-amine
CID 106512745
N-(2-propan-2-ylsulfonylethyl)propan-1-amine
CID 64676405
3-propan-2-ylsulfonyl-N-propylpropan-1-amine
CID 64675616
4-(3-methylbutan-2-ylsulfonyl)-N-propylbutan-2-amine
CID 107759127
N-[2-(2-methylpropylsulfonyl)ethyl]hexan-1-amine
CID 106512908
N-(2-butylsulfonylethyl)-4-methylpentan-1-amine
CID 106512538
2-[2-(butylamino)ethylsulfonyl]ethyl hydrogen sulfate
CID 88680588
N-(2-methylsulfonylethyl)nonan-1-amine
CID 60918921
2-(pentylamino)ethanesulfonamide
CID 43551719
2-(decylamino)ethanesulfonic acid
CID 13089902
N-butylbutan-1-amine;hydrochloride
CID 3083954

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylbutan-2-ylsulfonyl)ethyl]butan-1-amine?
The IUPAC name of N-[2-(3-methylbutan-2-ylsulfonyl)ethyl]butan-1-amine (CID 107757362) is N-[2-(3-methylbutan-2-ylsulfonyl)ethyl]butan-1-amine.
What is the SMILES notation for N-[2-(3-methylbutan-2-ylsulfonyl)ethyl]butan-1-amine?
The canonical SMILES for N-[2-(3-methylbutan-2-ylsulfonyl)ethyl]butan-1-amine is CCCCNCCS(=O)(=O)C(C)C(C)C.
What is the InChIKey of N-[2-(3-methylbutan-2-ylsulfonyl)ethyl]butan-1-amine?
The InChIKey is YGORMOINOANKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2S/c1-5-6-7-12-8-9-15(13,14)11(4)10(2)3/h10-12H,5-9H2,1-4H3.
What are the key properties of N-[2-(3-methylbutan-2-ylsulfonyl)ethyl]butan-1-amine?
N-[2-(3-methylbutan-2-ylsulfonyl)ethyl]butan-1-amine has a molecular weight of 235.39 g/mol, XLogP of 1.84, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylbutan-2-ylsulfonyl)ethyl]butan-1-amine is sourced from PubChem (CID 107757362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).