1-amino-4-hydroxy-N-(1-propan-2-ylpiperidin-4-yl)butane-2-sulfonamide

C12H27N3O3S — CID 68821857

IUPAC1-amino-4-hydroxy-N-(1-propan-2-ylpiperidin-4-yl)butane-2-sulfonamide
SMILESCC(C)N1CCC(NS(=O)(=O)C(CN)CCO)CC1
InChIInChI=1S/C12H27N3O3S/c1-10(2)15-6-3-11(4-7-15)14-19(17,18)12(9-13)5-8-16/h10-12,14,16H,3-9,13H2,1-2H3
InChIKeyGGEGCCGCZJBOGV-UHFFFAOYSA-N
MW293.43 g/mol
LogP-0.51
Rot. Bonds7

About 1-amino-4-hydroxy-N-(1-propan-2-ylpiperidin-4-yl)butane-2-sulfonamide

1-amino-4-hydroxy-N-(1-propan-2-ylpiperidin-4-yl)butane-2-sulfonamide (PubChem CID 68821857) has the molecular formula C12H27N3O3S and a molecular weight of 293.43 g/mol. Its IUPAC name is 1-amino-4-hydroxy-N-(1-propan-2-ylpiperidin-4-yl)butane-2-sulfonamide.

Molecular Properties

Compound Name1-amino-4-hydroxy-N-(1-propan-2-ylpiperidin-4-yl)butane-2-sulfonamide
PubChem CID68821857
Molecular FormulaC12H27N3O3S
Molecular Weight293.43 g/mol
Exact Mass293.18
IUPAC Name1-amino-4-hydroxy-N-(1-propan-2-ylpiperidin-4-yl)butane-2-sulfonamide
SMILESCC(C)N1CCC(NS(=O)(=O)C(CN)CCO)CC1
InChIInChI=1S/C12H27N3O3S/c1-10(2)15-6-3-11(4-7-15)14-19(17,18)12(9-13)5-8-16/h10-12,14,16H,3-9,13H2,1-2H3
InChIKeyGGEGCCGCZJBOGV-UHFFFAOYSA-N
XLogP-0.51
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 5-0.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]propane-1-sulfonamide
CID 56806570
1-((2-Methoxyethyl)sulfonyl)piperidin-4-amine
CID 61608559
(S)-2-amino-3-hydroxy-propane-1-sulfonic acid (1-isopropyl-piperidin-4-yl)-amide
CID 66625195
2-(4-hydroxypiperidin-1-yl)-N-methylethanesulfonamide
CID 68371125
2-amino-N-(2-hydroxyethyl)-N-(1-propan-2-ylpiperidin-4-yl)ethanesulfonamide
CID 68821541
4-Hydroxy-2-[(1-propan-2-ylpiperidin-4-yl)sulfamoyl]butanamide
CID 68821856
1-amino-3-methoxy-N-(1-propan-2-ylpiperidin-4-yl)propane-2-sulfonamide
CID 68822827
1-amino-4-methoxy-N-(1-propan-2-ylpiperidin-4-yl)butane-2-sulfonamide
CID 68824374
2-[3-Hydroxypropyl-(1-propan-2-ylpiperidin-4-yl)sulfamoyl]acetamide
CID 68824663
2-amino-N-(3-hydroxypropyl)-N-(1-propan-2-ylpiperidin-4-yl)ethanesulfonamide
CID 68824666
1-amino-3-hydroxy-N-(1-propan-2-ylpiperidin-4-yl)propane-2-sulfonamide
CID 69107239
2-(4-Aminopiperidin-1-yl)sulfonylethanol
CID 69276068

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-hydroxy-N-(1-propan-2-ylpiperidin-4-yl)butane-2-sulfonamide?
The IUPAC name of 1-amino-4-hydroxy-N-(1-propan-2-ylpiperidin-4-yl)butane-2-sulfonamide (CID 68821857) is 1-amino-4-hydroxy-N-(1-propan-2-ylpiperidin-4-yl)butane-2-sulfonamide.
What is the SMILES notation for 1-amino-4-hydroxy-N-(1-propan-2-ylpiperidin-4-yl)butane-2-sulfonamide?
The canonical SMILES for 1-amino-4-hydroxy-N-(1-propan-2-ylpiperidin-4-yl)butane-2-sulfonamide is CC(C)N1CCC(NS(=O)(=O)C(CN)CCO)CC1.
What is the InChIKey of 1-amino-4-hydroxy-N-(1-propan-2-ylpiperidin-4-yl)butane-2-sulfonamide?
The InChIKey is GGEGCCGCZJBOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O3S/c1-10(2)15-6-3-11(4-7-15)14-19(17,18)12(9-13)5-8-16/h10-12,14,16H,3-9,13H2,1-2H3.
What are the key properties of 1-amino-4-hydroxy-N-(1-propan-2-ylpiperidin-4-yl)butane-2-sulfonamide?
1-amino-4-hydroxy-N-(1-propan-2-ylpiperidin-4-yl)butane-2-sulfonamide has a molecular weight of 293.43 g/mol, XLogP of -0.51, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-hydroxy-N-(1-propan-2-ylpiperidin-4-yl)butane-2-sulfonamide is sourced from PubChem (CID 68821857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).