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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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).