4-amino-N-butan-2-yl-N-ethylbutane-1-sulfonamide

C10H24N2O2S — CID 61456323

IUPAC4-amino-N-butan-2-yl-N-ethylbutane-1-sulfonamide
SMILESCCC(C)N(CC)S(=O)(=O)CCCCN
InChIInChI=1S/C10H24N2O2S/c1-4-10(3)12(5-2)15(13,14)9-7-6-8-11/h10H,4-9,11H2,1-3H3
InChIKeyHQZLEZIRKSRXDD-UHFFFAOYSA-N
MW236.38 g/mol
LogP1.18
Rot. Bonds8

About 4-amino-N-butan-2-yl-N-ethylbutane-1-sulfonamide

4-amino-N-butan-2-yl-N-ethylbutane-1-sulfonamide (PubChem CID 61456323) has the molecular formula C10H24N2O2S and a molecular weight of 236.38 g/mol. Its IUPAC name is 4-amino-N-butan-2-yl-N-ethylbutane-1-sulfonamide.

Molecular Properties

Compound Name4-amino-N-butan-2-yl-N-ethylbutane-1-sulfonamide
PubChem CID61456323
Molecular FormulaC10H24N2O2S
Molecular Weight236.38 g/mol
Exact Mass236.16
IUPAC Name4-amino-N-butan-2-yl-N-ethylbutane-1-sulfonamide
SMILESCCC(C)N(CC)S(=O)(=O)CCCCN
InChIInChI=1S/C10H24N2O2S/c1-4-10(3)12(5-2)15(13,14)9-7-6-8-11/h10H,4-9,11H2,1-3H3
InChIKeyHQZLEZIRKSRXDD-UHFFFAOYSA-N
XLogP1.18
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 51.18
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

4-amino-N-(2-hydroxypropyl)-N-methylbutane-1-sulfonamide
CID 62333188
2-[4-aminobutylsulfonyl(ethyl)amino]-N-propan-2-ylacetamide
CID 54986338
1-[2-(aminomethyl)phenyl]-N-butan-2-yl-N-ethylmethanesulfonamide
CID 43274531
5-ethylsulfonylpentan-1-amine
CID 54172156
3-amino-N-ethyl-N-propylpropane-1-sulfonamide
CID 60910344
N-(2-aminoethyl)-N-pentan-3-ylpropane-1-sulfonamide
CID 63765084
4-chloro-N-(2-methylpropyl)-N-pentan-3-ylbutane-1-sulfonamide
CID 79488616
2-(4-aminobutylsulfonylamino)-N-ethyl-N-methylpropanamide
CID 103108271
9-methylsulfonylnonan-1-amine
CID 101417644
5-(3-methylbutylsulfonyl)pentan-1-amine
CID 107767380
4-aminobutane-1-sulfonic acid;butane
CID 172845680
5-butylsulfonylpentan-1-amine
CID 64698649

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-butan-2-yl-N-ethylbutane-1-sulfonamide?
The IUPAC name of 4-amino-N-butan-2-yl-N-ethylbutane-1-sulfonamide (CID 61456323) is 4-amino-N-butan-2-yl-N-ethylbutane-1-sulfonamide.
What is the SMILES notation for 4-amino-N-butan-2-yl-N-ethylbutane-1-sulfonamide?
The canonical SMILES for 4-amino-N-butan-2-yl-N-ethylbutane-1-sulfonamide is CCC(C)N(CC)S(=O)(=O)CCCCN.
What is the InChIKey of 4-amino-N-butan-2-yl-N-ethylbutane-1-sulfonamide?
The InChIKey is HQZLEZIRKSRXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O2S/c1-4-10(3)12(5-2)15(13,14)9-7-6-8-11/h10H,4-9,11H2,1-3H3.
What are the key properties of 4-amino-N-butan-2-yl-N-ethylbutane-1-sulfonamide?
4-amino-N-butan-2-yl-N-ethylbutane-1-sulfonamide has a molecular weight of 236.38 g/mol, XLogP of 1.18, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-butan-2-yl-N-ethylbutane-1-sulfonamide is sourced from PubChem (CID 61456323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).