4-amino-N-(2-hydroxypropyl)-N-methylbutane-1-sulfonamide

C8H20N2O3S — CID 62333188

IUPAC4-amino-N-(2-hydroxypropyl)-N-methylbutane-1-sulfonamide
SMILESCC(O)CN(C)S(=O)(=O)CCCCN
InChIInChI=1S/C8H20N2O3S/c1-8(11)7-10(2)14(12,13)6-4-3-5-9/h8,11H,3-7,9H2,1-2H3
InChIKeyBEFOWBISLGZWPA-UHFFFAOYSA-N
MW224.33 g/mol
LogP-0.63
Rot. Bonds7

About 4-amino-N-(2-hydroxypropyl)-N-methylbutane-1-sulfonamide

4-amino-N-(2-hydroxypropyl)-N-methylbutane-1-sulfonamide (PubChem CID 62333188) has the molecular formula C8H20N2O3S and a molecular weight of 224.33 g/mol. Its IUPAC name is 4-amino-N-(2-hydroxypropyl)-N-methylbutane-1-sulfonamide.

Molecular Properties

Compound Name4-amino-N-(2-hydroxypropyl)-N-methylbutane-1-sulfonamide
PubChem CID62333188
Molecular FormulaC8H20N2O3S
Molecular Weight224.33 g/mol
Exact Mass224.12
IUPAC Name4-amino-N-(2-hydroxypropyl)-N-methylbutane-1-sulfonamide
SMILESCC(O)CN(C)S(=O)(=O)CCCCN
InChIInChI=1S/C8H20N2O3S/c1-8(11)7-10(2)14(12,13)6-4-3-5-9/h8,11H,3-7,9H2,1-2H3
InChIKeyBEFOWBISLGZWPA-UHFFFAOYSA-N
XLogP-0.63
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxypropyl)-N,3,3-trimethylbutane-1-sulfonamide
CID 103916497
methyl 3-[2-hydroxypropyl(methyl)sulfamoyl]propanoate
CID 62334087
4-amino-N-(cyclopentylmethyl)-N-methylbutane-1-sulfonamide
CID 63630732
4-amino-N-butan-2-yl-N-ethylbutane-1-sulfonamide
CID 61456323
2-[3-aminopropylsulfonyl(methyl)amino]-N,N-dimethylacetamide
CID 60910488
2-(4-aminobutylsulfonyl)propanoic acid
CID 82180315
4-amino-N-[1-(dimethylamino)propan-2-yl]butane-1-sulfonamide
CID 82945449
6-methylheptan-1-amine;8-methylnonane-1-sulfonic acid
CID 175529439
N-(2-hydroxypropyl)-N-methyl-2-piperidin-4-ylethanesulfonamide
CID 55061183
1-[bis(3-aminopropyl)amino]propan-2-ol
CID 88627199
5-(3-methylbutylsulfonyl)pentan-1-amine
CID 107767380
4-amino-N-[(2-fluorophenyl)methyl]-N-methylbutane-1-sulfonamide
CID 54952198

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-hydroxypropyl)-N-methylbutane-1-sulfonamide?
The IUPAC name of 4-amino-N-(2-hydroxypropyl)-N-methylbutane-1-sulfonamide (CID 62333188) is 4-amino-N-(2-hydroxypropyl)-N-methylbutane-1-sulfonamide.
What is the SMILES notation for 4-amino-N-(2-hydroxypropyl)-N-methylbutane-1-sulfonamide?
The canonical SMILES for 4-amino-N-(2-hydroxypropyl)-N-methylbutane-1-sulfonamide is CC(O)CN(C)S(=O)(=O)CCCCN.
What is the InChIKey of 4-amino-N-(2-hydroxypropyl)-N-methylbutane-1-sulfonamide?
The InChIKey is BEFOWBISLGZWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O3S/c1-8(11)7-10(2)14(12,13)6-4-3-5-9/h8,11H,3-7,9H2,1-2H3.
What are the key properties of 4-amino-N-(2-hydroxypropyl)-N-methylbutane-1-sulfonamide?
4-amino-N-(2-hydroxypropyl)-N-methylbutane-1-sulfonamide has a molecular weight of 224.33 g/mol, XLogP of -0.63, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-hydroxypropyl)-N-methylbutane-1-sulfonamide is sourced from PubChem (CID 62333188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).