N-(disulfanyl)-4-hydroxypiperidine-1-sulfonamide

C5H12N2O3S3 — CID 167034381

IUPACN-(disulfanyl)-4-hydroxypiperidine-1-sulfonamide
SMILESO=S(=O)(NSS)N1CCC(O)CC1
InChIInChI=1S/C5H12N2O3S3/c8-5-1-3-7(4-2-5)13(9,10)6-12-11/h5-6,8,11H,1-4H2
InChIKeyCFLHSNCYNFNWGR-UHFFFAOYSA-N
MW244.36 g/mol
LogP-0.23
Rot. Bonds3

About N-(disulfanyl)-4-hydroxypiperidine-1-sulfonamide

N-(disulfanyl)-4-hydroxypiperidine-1-sulfonamide (PubChem CID 167034381) has the molecular formula C5H12N2O3S3 and a molecular weight of 244.36 g/mol. Its IUPAC name is N-(disulfanyl)-4-hydroxypiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(disulfanyl)-4-hydroxypiperidine-1-sulfonamide
PubChem CID167034381
Molecular FormulaC5H12N2O3S3
Molecular Weight244.36 g/mol
Exact Mass244.00
IUPAC NameN-(disulfanyl)-4-hydroxypiperidine-1-sulfonamide
SMILESO=S(=O)(NSS)N1CCC(O)CC1
InChIInChI=1S/C5H12N2O3S3/c8-5-1-3-7(4-2-5)13(9,10)6-12-11/h5-6,8,11H,1-4H2
InChIKeyCFLHSNCYNFNWGR-UHFFFAOYSA-N
XLogP-0.23
TPSA69.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(3R)-1-methylsulfonylpyrrolidin-3-ol
CID 78998740
1-methylsulfonylpyrrolidin-3-ol
CID 20745843
1-(tert-butylsulfonimidoyl)piperidin-4-ol
CID 164644450
1-(2-aminoethylsulfonyl)piperidin-4-ol
CID 16781197
(3R)-1-cyclopropylsulfonylpyrrolidin-3-ol
CID 79030804
N-[(4-hydroxycyclohexyl)methyl]piperidine-1-sulfonamide
CID 114147060
4-hydroxy-N-quinolin-8-ylpiperidine-1-sulfonamide
CID 167892324
(3S)-1-pyrrolidin-1-ylsulfonylpyrrolidin-3-ol
CID 79031701
N-(4-hydroxypiperidin-1-yl)formamide
CID 68829177
(3R)-1-piperidin-1-ylsulfonylpyrrolidin-3-ol
CID 66291550
(3S)-1-(difluoromethylsulfonyl)pyrrolidin-3-ol
CID 79030730
1-imidazol-1-ylsulfonylpiperidin-4-ol
CID 68916643

Frequently Asked Questions

What is the IUPAC name of N-(disulfanyl)-4-hydroxypiperidine-1-sulfonamide?
The IUPAC name of N-(disulfanyl)-4-hydroxypiperidine-1-sulfonamide (CID 167034381) is N-(disulfanyl)-4-hydroxypiperidine-1-sulfonamide.
What is the SMILES notation for N-(disulfanyl)-4-hydroxypiperidine-1-sulfonamide?
The canonical SMILES for N-(disulfanyl)-4-hydroxypiperidine-1-sulfonamide is O=S(=O)(NSS)N1CCC(O)CC1.
What is the InChIKey of N-(disulfanyl)-4-hydroxypiperidine-1-sulfonamide?
The InChIKey is CFLHSNCYNFNWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O3S3/c8-5-1-3-7(4-2-5)13(9,10)6-12-11/h5-6,8,11H,1-4H2.
What are the key properties of N-(disulfanyl)-4-hydroxypiperidine-1-sulfonamide?
N-(disulfanyl)-4-hydroxypiperidine-1-sulfonamide has a molecular weight of 244.36 g/mol, XLogP of -0.23, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(disulfanyl)-4-hydroxypiperidine-1-sulfonamide is sourced from PubChem (CID 167034381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).