3-amino-N-hydroxypropane-1-sulfonamide;hydrobromide

C3H11BrN2O3S — CID 45260204

IUPAC3-amino-N-hydroxypropane-1-sulfonamide;hydrobromide
SMILESBr.NCCCS(=O)(=O)NO
InChIInChI=1S/C3H10N2O3S.BrH/c4-2-1-3-9(7,8)5-6;/h5-6H,1-4H2;1H
InChIKeyQIMCMYIKVZQUMR-UHFFFAOYSA-N
MW235.10 g/mol
LogP-0.78
Rot. Bonds4

About 3-amino-N-hydroxypropane-1-sulfonamide;hydrobromide

3-amino-N-hydroxypropane-1-sulfonamide;hydrobromide (PubChem CID 45260204) has the molecular formula C3H11BrN2O3S and a molecular weight of 235.10 g/mol. Its IUPAC name is 3-amino-N-hydroxypropane-1-sulfonamide;hydrobromide.

Molecular Properties

Compound Name3-amino-N-hydroxypropane-1-sulfonamide;hydrobromide
PubChem CID45260204
Molecular FormulaC3H11BrN2O3S
Molecular Weight235.10 g/mol
Exact Mass233.97
IUPAC Name3-amino-N-hydroxypropane-1-sulfonamide;hydrobromide
SMILESBr.NCCCS(=O)(=O)NO
InChIInChI=1S/C3H10N2O3S.BrH/c4-2-1-3-9(7,8)5-6;/h5-6H,1-4H2;1H
InChIKeyQIMCMYIKVZQUMR-UHFFFAOYSA-N
XLogP-0.78
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.10
LogP ≤ 5-0.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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3-amino-N-(cyclopropylmethyl)propane-1-sulfonamide
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N-[3-[4-(3-aminopropylamino)butylamino]propyl]pentane-1-sulfonamide
CID 88877324
strontium bis(3-aminopropane-1-sulfonate)
CID 87367236
3-amino-N-(2-methoxypropyl)propane-1-sulfonamide
CID 102697740
3-(3-aminopropylsulfonyl)propan-1-amine;dihydrochloride
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butane-1,4-diamine;methanesulfonic acid
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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-hydroxypropane-1-sulfonamide;hydrobromide?
The IUPAC name of 3-amino-N-hydroxypropane-1-sulfonamide;hydrobromide (CID 45260204) is 3-amino-N-hydroxypropane-1-sulfonamide;hydrobromide.
What is the SMILES notation for 3-amino-N-hydroxypropane-1-sulfonamide;hydrobromide?
The canonical SMILES for 3-amino-N-hydroxypropane-1-sulfonamide;hydrobromide is Br.NCCCS(=O)(=O)NO.
What is the InChIKey of 3-amino-N-hydroxypropane-1-sulfonamide;hydrobromide?
The InChIKey is QIMCMYIKVZQUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10N2O3S.BrH/c4-2-1-3-9(7,8)5-6;/h5-6H,1-4H2;1H.
What are the key properties of 3-amino-N-hydroxypropane-1-sulfonamide;hydrobromide?
3-amino-N-hydroxypropane-1-sulfonamide;hydrobromide has a molecular weight of 235.10 g/mol, XLogP of -0.78, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-hydroxypropane-1-sulfonamide;hydrobromide is sourced from PubChem (CID 45260204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).