2-[[(2S)-pyrrolidin-2-yl]methyl]-1,2,5-thiadiazolidine 1,1-dioxide

C7H15N3O2S — CID 131026054

IUPAC2-[[(2S)-pyrrolidin-2-yl]methyl]-1,2,5-thiadiazolidine 1,1-dioxide
SMILESO=S1(=O)NCCN1C[C@@H]1CCCN1
InChIInChI=1S/C7H15N3O2S/c11-13(12)9-4-5-10(13)6-7-2-1-3-8-7/h7-9H,1-6H2/t7-/m0/s1
InChIKeyUXCGITICCNICKC-ZETCQYMHSA-N
MW205.28 g/mol
LogP-1.11
Rot. Bonds2

About 2-[[(2S)-pyrrolidin-2-yl]methyl]-1,2,5-thiadiazolidine 1,1-dioxide

2-[[(2S)-pyrrolidin-2-yl]methyl]-1,2,5-thiadiazolidine 1,1-dioxide (PubChem CID 131026054) has the molecular formula C7H15N3O2S and a molecular weight of 205.28 g/mol. Its IUPAC name is 2-[[(2S)-pyrrolidin-2-yl]methyl]-1,2,5-thiadiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-[[(2S)-pyrrolidin-2-yl]methyl]-1,2,5-thiadiazolidine 1,1-dioxide
PubChem CID131026054
Molecular FormulaC7H15N3O2S
Molecular Weight205.28 g/mol
Exact Mass205.09
IUPAC Name2-[[(2S)-pyrrolidin-2-yl]methyl]-1,2,5-thiadiazolidine 1,1-dioxide
SMILESO=S1(=O)NCCN1C[C@@H]1CCCN1
InChIInChI=1S/C7H15N3O2S/c11-13(12)9-4-5-10(13)6-7-2-1-3-8-7/h7-9H,1-6H2/t7-/m0/s1
InChIKeyUXCGITICCNICKC-ZETCQYMHSA-N
XLogP-1.11
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 5-1.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(pyrrolidin-2-ylmethyl)-5-(2,2,2-trifluoroethyl)-1,2,5-thiadiazolidine 1,1-dioxide
CID 84814051
7-methyl-2-(piperidin-2-ylmethyl)-1,2,5-thiadiazepane 1,1-dioxide
CID 115100885
2-phenyl-6-(pyrrolidin-2-ylmethyl)-1,2,6-thiadiazinane 1,1-dioxide
CID 84815558
1-(pyrrolidin-2-ylmethyl)piperazine
CID 53406264
(3aS,6aR)-2-[[(2S)-pyrrolidin-2-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 142354137
1-(pyrrolidin-2-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 55142508
ethane;propane;1-(pyrrolidin-2-ylmethyl)pyrrolidine
CID 143192100
1-(pyrrolidin-2-ylmethyl)pyrazolidin-3-one
CID 105434202
4-[[(2S)-pyrrolidin-2-yl]methyl]morpholine;dihydrochloride
CID 122361110
8-(pyrrolidin-2-ylmethyl)-8-azabicyclo[3.2.1]octane
CID 130834643
(3S,4R)-3-amino-4-[(1,1-dioxo-1,2,6-thiadiazinan-2-yl)methyl]azetidin-2-one
CID 167344211
1-(pyrrolidin-2-ylmethyl)azepan-4-one
CID 115020782

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-pyrrolidin-2-yl]methyl]-1,2,5-thiadiazolidine 1,1-dioxide?
The IUPAC name of 2-[[(2S)-pyrrolidin-2-yl]methyl]-1,2,5-thiadiazolidine 1,1-dioxide (CID 131026054) is 2-[[(2S)-pyrrolidin-2-yl]methyl]-1,2,5-thiadiazolidine 1,1-dioxide.
What is the SMILES notation for 2-[[(2S)-pyrrolidin-2-yl]methyl]-1,2,5-thiadiazolidine 1,1-dioxide?
The canonical SMILES for 2-[[(2S)-pyrrolidin-2-yl]methyl]-1,2,5-thiadiazolidine 1,1-dioxide is O=S1(=O)NCCN1C[C@@H]1CCCN1.
What is the InChIKey of 2-[[(2S)-pyrrolidin-2-yl]methyl]-1,2,5-thiadiazolidine 1,1-dioxide?
The InChIKey is UXCGITICCNICKC-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H15N3O2S/c11-13(12)9-4-5-10(13)6-7-2-1-3-8-7/h7-9H,1-6H2/t7-/m0/s1.
What are the key properties of 2-[[(2S)-pyrrolidin-2-yl]methyl]-1,2,5-thiadiazolidine 1,1-dioxide?
2-[[(2S)-pyrrolidin-2-yl]methyl]-1,2,5-thiadiazolidine 1,1-dioxide has a molecular weight of 205.28 g/mol, XLogP of -1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-pyrrolidin-2-yl]methyl]-1,2,5-thiadiazolidine 1,1-dioxide is sourced from PubChem (CID 131026054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).