2-cyclopentyl-4-[4-(cyclopropylmethyl)piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide

C16H29N3O2S — CID 51360714

IUPAC2-cyclopentyl-4-[4-(cyclopropylmethyl)piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide
SMILESO=S1(=O)CC(N2CCN(CC3CC3)CC2)CN1C1CCCC1
InChIInChI=1S/C16H29N3O2S/c20-22(21)13-16(12-19(22)15-3-1-2-4-15)18-9-7-17(8-10-18)11-14-5-6-14/h14-16H,1-13H2
InChIKeyMCGPBQSEYURXRU-UHFFFAOYSA-N
MW327.49 g/mol
LogP0.97
Rot. Bonds4

About 2-cyclopentyl-4-[4-(cyclopropylmethyl)piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide

2-cyclopentyl-4-[4-(cyclopropylmethyl)piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide (PubChem CID 51360714) has the molecular formula C16H29N3O2S and a molecular weight of 327.49 g/mol. Its IUPAC name is 2-cyclopentyl-4-[4-(cyclopropylmethyl)piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-cyclopentyl-4-[4-(cyclopropylmethyl)piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide
PubChem CID51360714
Molecular FormulaC16H29N3O2S
Molecular Weight327.49 g/mol
Exact Mass327.20
IUPAC Name2-cyclopentyl-4-[4-(cyclopropylmethyl)piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide
SMILESO=S1(=O)CC(N2CCN(CC3CC3)CC2)CN1C1CCCC1
InChIInChI=1S/C16H29N3O2S/c20-22(21)13-16(12-19(22)15-3-1-2-4-15)18-9-7-17(8-10-18)11-14-5-6-14/h14-16H,1-13H2
InChIKeyMCGPBQSEYURXRU-UHFFFAOYSA-N
XLogP0.97
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.49
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Cyclohexyl-4-[4-(cyclopropylmethyl)piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide
CID 51359915
2-[4-(2-cyclopentyl-1,1-dioxo-1,2-thiazolidin-4-yl)piperazin-1-yl]-N,N-dimethylethanamine
CID 51360710
2-Butyl-4-piperidin-1-yl-1,2-thiazolidine 1,1-dioxide
CID 51359858
2-Cyclopentyl-4-(4-methylpiperazin-1-yl)-1,2-thiazolidine 1,1-dioxide
CID 51360708
N-[3-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-3-yl]sulfonyl]propyl]-N-methylcyclopentanamine
CID 173135174
1-(Cyclopropylmethyl)-4-(pyrrolidin-2-ylmethylsulfonyl)piperazine
CID 61548313
1-Propan-2-ylsulfonyl-3-pyrrolidin-1-ylpiperidine
CID 64584375
1-Ethylsulfonyl-3-pyrrolidin-1-ylpiperidine
CID 64584376
1-Propylsulfonyl-3-pyrrolidin-1-ylpiperidine
CID 64584569
[1-(2-Piperidin-1-ylethyl)pyrrolidin-2-yl]methanesulfonamide
CID 71874362
1-[1-(Cyclopropylmethylsulfonyl)pyrrolidin-3-yl]piperidin-4-amine
CID 80553987
[(2R)-1-(2-piperidin-1-ylethyl)pyrrolidin-2-yl]methanesulfonamide
CID 96367594

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-4-[4-(cyclopropylmethyl)piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-cyclopentyl-4-[4-(cyclopropylmethyl)piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide (CID 51360714) is 2-cyclopentyl-4-[4-(cyclopropylmethyl)piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-cyclopentyl-4-[4-(cyclopropylmethyl)piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-cyclopentyl-4-[4-(cyclopropylmethyl)piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide is O=S1(=O)CC(N2CCN(CC3CC3)CC2)CN1C1CCCC1.
What is the InChIKey of 2-cyclopentyl-4-[4-(cyclopropylmethyl)piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide?
The InChIKey is MCGPBQSEYURXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2S/c20-22(21)13-16(12-19(22)15-3-1-2-4-15)18-9-7-17(8-10-18)11-14-5-6-14/h14-16H,1-13H2.
What are the key properties of 2-cyclopentyl-4-[4-(cyclopropylmethyl)piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide?
2-cyclopentyl-4-[4-(cyclopropylmethyl)piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide has a molecular weight of 327.49 g/mol, XLogP of 0.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-4-[4-(cyclopropylmethyl)piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 51360714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).