2-cyclopropyl-6-[(3R)-pyrrolidin-3-yl]-1,2,6-thiadiazinane 1,1-dioxide

C10H19N3O2S — CID 129409583

IUPAC2-cyclopropyl-6-[(3R)-pyrrolidin-3-yl]-1,2,6-thiadiazinane 1,1-dioxide
SMILESO=S1(=O)N(C2CC2)CCCN1[C@@H]1CCNC1
InChIInChI=1S/C10H19N3O2S/c14-16(15)12(9-2-3-9)6-1-7-13(16)10-4-5-11-8-10/h9-11H,1-8H2/t10-/m1/s1
InChIKeyBKGAYZQBZGAYFK-SNVBAGLBSA-N
MW245.35 g/mol
LogP-0.24
Rot. Bonds2

About 2-cyclopropyl-6-[(3R)-pyrrolidin-3-yl]-1,2,6-thiadiazinane 1,1-dioxide

2-cyclopropyl-6-[(3R)-pyrrolidin-3-yl]-1,2,6-thiadiazinane 1,1-dioxide (PubChem CID 129409583) has the molecular formula C10H19N3O2S and a molecular weight of 245.35 g/mol. Its IUPAC name is 2-cyclopropyl-6-[(3R)-pyrrolidin-3-yl]-1,2,6-thiadiazinane 1,1-dioxide.

Molecular Properties

Compound Name2-cyclopropyl-6-[(3R)-pyrrolidin-3-yl]-1,2,6-thiadiazinane 1,1-dioxide
PubChem CID129409583
Molecular FormulaC10H19N3O2S
Molecular Weight245.35 g/mol
Exact Mass245.12
IUPAC Name2-cyclopropyl-6-[(3R)-pyrrolidin-3-yl]-1,2,6-thiadiazinane 1,1-dioxide
SMILESO=S1(=O)N(C2CC2)CCCN1[C@@H]1CCNC1
InChIInChI=1S/C10H19N3O2S/c14-16(15)12(9-2-3-9)6-1-7-13(16)10-4-5-11-8-10/h9-11H,1-8H2/t10-/m1/s1
InChIKeyBKGAYZQBZGAYFK-SNVBAGLBSA-N
XLogP-0.24
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-pyrrolidin-3-ylthiazinane 1,1-dioxide
CID 83819748
2-[(3S)-pyrrolidin-3-yl]-5-(2,2,2-trifluoroethyl)-1,2,5-thiadiazolidine 1,1-dioxide
CID 129410504
2-cyclopropyl-6-methyl-1,2,6-thiadiazinane 1,1-dioxide
CID 117026594
3-(azetidin-1-yl)pyrrolidine;hydrochloride
CID 53414698
2-(azepan-4-yl)-1,2-thiazolidine 1,1-dioxide
CID 103655491
1-methyl-4-pyrrolidin-3-yl-1,4-diazepane
CID 23282605
2-cyclopentyl-5-(piperidin-4-ylmethyl)-1,2,5-thiadiazolidine 1,1-dioxide
CID 84814080
2-cyclopropyl-1,2,5-thiadiazocane 1,1-dioxide
CID 117015210
3,9-diazabicyclo[4.2.1]nonan-9-ylmethanone;rubidium(1+)
CID 173482628
4-piperidin-4-yl-1,4-thiazinane 1,1-dioxide;dihydrochloride
CID 71758395
(1S,6R)-9-methyl-3,9-diazabicyclo[4.2.1]nonane;dihydrochloride
CID 75530864
3-bromo-1-[(3R)-pyrrolidin-3-yl]pyrrolidin-2-one
CID 58430301

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-[(3R)-pyrrolidin-3-yl]-1,2,6-thiadiazinane 1,1-dioxide?
The IUPAC name of 2-cyclopropyl-6-[(3R)-pyrrolidin-3-yl]-1,2,6-thiadiazinane 1,1-dioxide (CID 129409583) is 2-cyclopropyl-6-[(3R)-pyrrolidin-3-yl]-1,2,6-thiadiazinane 1,1-dioxide.
What is the SMILES notation for 2-cyclopropyl-6-[(3R)-pyrrolidin-3-yl]-1,2,6-thiadiazinane 1,1-dioxide?
The canonical SMILES for 2-cyclopropyl-6-[(3R)-pyrrolidin-3-yl]-1,2,6-thiadiazinane 1,1-dioxide is O=S1(=O)N(C2CC2)CCCN1[C@@H]1CCNC1.
What is the InChIKey of 2-cyclopropyl-6-[(3R)-pyrrolidin-3-yl]-1,2,6-thiadiazinane 1,1-dioxide?
The InChIKey is BKGAYZQBZGAYFK-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H19N3O2S/c14-16(15)12(9-2-3-9)6-1-7-13(16)10-4-5-11-8-10/h9-11H,1-8H2/t10-/m1/s1.
What are the key properties of 2-cyclopropyl-6-[(3R)-pyrrolidin-3-yl]-1,2,6-thiadiazinane 1,1-dioxide?
2-cyclopropyl-6-[(3R)-pyrrolidin-3-yl]-1,2,6-thiadiazinane 1,1-dioxide has a molecular weight of 245.35 g/mol, XLogP of -0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-[(3R)-pyrrolidin-3-yl]-1,2,6-thiadiazinane 1,1-dioxide is sourced from PubChem (CID 129409583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).