N-[(3S)-1-[(4S)-1,3-thiazolidine-4-carbonyl]piperidin-3-yl]methanesulfonamide

C10H19N3O3S2 — CID 93371379

IUPACN-[(3S)-1-[(4S)-1,3-thiazolidine-4-carbonyl]piperidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)N[C@H]1CCCN(C(=O)[C@H]2CSCN2)C1
InChIInChI=1S/C10H19N3O3S2/c1-18(15,16)12-8-3-2-4-13(5-8)10(14)9-6-17-7-11-9/h8-9,11-12H,2-7H2,1H3/t8-,9+/m0/s1
InChIKeyTXLSHRFOPZXDPI-DTWKUNHWSA-N
MW293.41 g/mol
LogP-0.81
Rot. Bonds3

About N-[(3S)-1-[(4S)-1,3-thiazolidine-4-carbonyl]piperidin-3-yl]methanesulfonamide

N-[(3S)-1-[(4S)-1,3-thiazolidine-4-carbonyl]piperidin-3-yl]methanesulfonamide (PubChem CID 93371379) has the molecular formula C10H19N3O3S2 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[(3S)-1-[(4S)-1,3-thiazolidine-4-carbonyl]piperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(3S)-1-[(4S)-1,3-thiazolidine-4-carbonyl]piperidin-3-yl]methanesulfonamide
PubChem CID93371379
Molecular FormulaC10H19N3O3S2
Molecular Weight293.41 g/mol
Exact Mass293.09
IUPAC NameN-[(3S)-1-[(4S)-1,3-thiazolidine-4-carbonyl]piperidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)N[C@H]1CCCN(C(=O)[C@H]2CSCN2)C1
InChIInChI=1S/C10H19N3O3S2/c1-18(15,16)12-8-3-2-4-13(5-8)10(14)9-6-17-7-11-9/h8-9,11-12H,2-7H2,1H3/t8-,9+/m0/s1
InChIKeyTXLSHRFOPZXDPI-DTWKUNHWSA-N
XLogP-0.81
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3-methylpyrrolidine-2-carbonyl)piperidin-3-yl]methanesulfonamide
CID 102778694
N-[(3S)-1-[(2R)-2,3-dihydro-1H-indole-2-carbonyl]piperidin-3-yl]methanesulfonamide
CID 129323229
[3-(hydroxymethyl)piperidin-1-yl]-(1,3-thiazolidin-4-yl)methanone
CID 43590441
[3-(methoxymethyl)piperidin-1-yl]-(1,3-thiazolidin-4-yl)methanone;hydrochloride
CID 119322524
N-cyclopentyl-4-(1,3-thiazolidine-4-carbonyl)piperazine-1-carboxamide
CID 110812155
3-[3-(methanesulfonamido)piperidine-1-carbonyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 64834840
N-[1-(2,2,2-trifluoroacetyl)piperidin-3-yl]methanesulfonamide
CID 62490631
N-[1-[(2R)-pyrrolidine-2-carbonyl]piperidin-4-yl]methanesulfonamide
CID 103794357
N-[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methanesulfonamide
CID 95051787
N-[1-(3-aminobutanoyl)piperidin-3-yl]methanesulfonamide
CID 54871310
3-[(3R)-1-[(4R)-1,3-thiazolidine-4-carbonyl]piperidin-3-yl]propanamide
CID 124592205
N-[1-(2H-triazole-4-carbonyl)piperidin-3-yl]methanesulfonamide
CID 113226212

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[(4S)-1,3-thiazolidine-4-carbonyl]piperidin-3-yl]methanesulfonamide?
The IUPAC name of N-[(3S)-1-[(4S)-1,3-thiazolidine-4-carbonyl]piperidin-3-yl]methanesulfonamide (CID 93371379) is N-[(3S)-1-[(4S)-1,3-thiazolidine-4-carbonyl]piperidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[(3S)-1-[(4S)-1,3-thiazolidine-4-carbonyl]piperidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[(3S)-1-[(4S)-1,3-thiazolidine-4-carbonyl]piperidin-3-yl]methanesulfonamide is CS(=O)(=O)N[C@H]1CCCN(C(=O)[C@H]2CSCN2)C1.
What is the InChIKey of N-[(3S)-1-[(4S)-1,3-thiazolidine-4-carbonyl]piperidin-3-yl]methanesulfonamide?
The InChIKey is TXLSHRFOPZXDPI-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H19N3O3S2/c1-18(15,16)12-8-3-2-4-13(5-8)10(14)9-6-17-7-11-9/h8-9,11-12H,2-7H2,1H3/t8-,9+/m0/s1.
What are the key properties of N-[(3S)-1-[(4S)-1,3-thiazolidine-4-carbonyl]piperidin-3-yl]methanesulfonamide?
N-[(3S)-1-[(4S)-1,3-thiazolidine-4-carbonyl]piperidin-3-yl]methanesulfonamide has a molecular weight of 293.41 g/mol, XLogP of -0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[(4S)-1,3-thiazolidine-4-carbonyl]piperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 93371379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).