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

C17H31N3O2S — CID 51359915

IUPAC2-cyclohexyl-4-[4-(cyclopropylmethyl)piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide
SMILESO=S1(=O)CC(N2CCN(CC3CC3)CC2)CN1C1CCCCC1
InChIInChI=1S/C17H31N3O2S/c21-23(22)14-17(13-20(23)16-4-2-1-3-5-16)19-10-8-18(9-11-19)12-15-6-7-15/h15-17H,1-14H2
InChIKeyDGWNPSBCVPQZGQ-UHFFFAOYSA-N
MW341.52 g/mol
LogP1.36
Rot. Bonds4

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

2-cyclohexyl-4-[4-(cyclopropylmethyl)piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide (PubChem CID 51359915) has the molecular formula C17H31N3O2S and a molecular weight of 341.52 g/mol. Its IUPAC name is 2-cyclohexyl-4-[4-(cyclopropylmethyl)piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-cyclohexyl-4-[4-(cyclopropylmethyl)piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide
PubChem CID51359915
Molecular FormulaC17H31N3O2S
Molecular Weight341.52 g/mol
Exact Mass341.21
IUPAC Name2-cyclohexyl-4-[4-(cyclopropylmethyl)piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide
SMILESO=S1(=O)CC(N2CCN(CC3CC3)CC2)CN1C1CCCCC1
InChIInChI=1S/C17H31N3O2S/c21-23(22)14-17(13-20(23)16-4-2-1-3-5-16)19-10-8-18(9-11-19)12-15-6-7-15/h15-17H,1-14H2
InChIKeyDGWNPSBCVPQZGQ-UHFFFAOYSA-N
XLogP1.36
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.52
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-4-[4-(cyclopropylmethyl)piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-cyclohexyl-4-[4-(cyclopropylmethyl)piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide (CID 51359915) is 2-cyclohexyl-4-[4-(cyclopropylmethyl)piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-cyclohexyl-4-[4-(cyclopropylmethyl)piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-cyclohexyl-4-[4-(cyclopropylmethyl)piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide is O=S1(=O)CC(N2CCN(CC3CC3)CC2)CN1C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-4-[4-(cyclopropylmethyl)piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide?
The InChIKey is DGWNPSBCVPQZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2S/c21-23(22)14-17(13-20(23)16-4-2-1-3-5-16)19-10-8-18(9-11-19)12-15-6-7-15/h15-17H,1-14H2.
What are the key properties of 2-cyclohexyl-4-[4-(cyclopropylmethyl)piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide?
2-cyclohexyl-4-[4-(cyclopropylmethyl)piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide has a molecular weight of 341.52 g/mol, XLogP of 1.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-4-[4-(cyclopropylmethyl)piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 51359915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).