2-methylpropyl 4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine-1-carboxylate

C18H26N2O4S — CID 9116152

IUPAC2-methylpropyl 4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine-1-carboxylate
SMILESCC(C)COC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1
InChIInChI=1S/C18H26N2O4S/c1-14(2)13-24-18(21)19-8-10-20(11-9-19)25(22,23)17-7-6-15-4-3-5-16(15)12-17/h6-7,12,14H,3-5,8-11,13H2,1-2H3
InChIKeyPATZWEHFDRJKRR-UHFFFAOYSA-N
MW366.48 g/mol
LogP2.27
Rot. Bonds4

About 2-methylpropyl 4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine-1-carboxylate

2-methylpropyl 4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine-1-carboxylate (PubChem CID 9116152) has the molecular formula C18H26N2O4S and a molecular weight of 366.48 g/mol. Its IUPAC name is 2-methylpropyl 4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine-1-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine-1-carboxylate
PubChem CID9116152
Molecular FormulaC18H26N2O4S
Molecular Weight366.48 g/mol
Exact Mass366.16
IUPAC Name2-methylpropyl 4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine-1-carboxylate
SMILESCC(C)COC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1
InChIInChI=1S/C18H26N2O4S/c1-14(2)13-24-18(21)19-8-10-20(11-9-19)25(22,23)17-7-6-15-4-3-5-16(15)12-17/h6-7,12,14H,3-5,8-11,13H2,1-2H3
InChIKeyPATZWEHFDRJKRR-UHFFFAOYSA-N
XLogP2.27
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 4-[(4-methylphenyl)sulfonyl]-1-piperazinecarboxylate
CID 720863
Ethyl 4-[(2,3,4-trimethylphenyl)sulfonyl]-1-piperazinecarboxylate
CID 757184
Ethyl 4-(3,4-dimethylphenyl)sulfonylpiperazine-1-carboxylate
CID 756574
2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-N-(3-ethoxypropyl)acetamide
CID 9502783
Ethyl 4-[(2,4,5-trimethylphenyl)sulfonyl]piperazine-1-carboxylate
CID 712593
Propan-2-YL 4-(4-methylbenzenesulfonyl)piperazine-1-carboxylate
CID 4605441
Ethyl 4-[3-[(3,4-dimethylphenyl)sulfonylamino]propanoyl]piperazine-1-carboxylate
CID 24981712
Methyl 4-[(4-methylphenyl)sulfonyl]piperazinecarboxylate
CID 759763
Ethyl 4-(naphthalen-2-ylsulfonyl)piperazine-1-carboxylate
CID 829484
Ethyl 4-[4-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carboxylate
CID 2809445
N-[2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 17440161
2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-N,N-diethylacetamide
CID 24525776

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine-1-carboxylate?
The IUPAC name of 2-methylpropyl 4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine-1-carboxylate (CID 9116152) is 2-methylpropyl 4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine-1-carboxylate.
What is the SMILES notation for 2-methylpropyl 4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine-1-carboxylate?
The canonical SMILES for 2-methylpropyl 4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine-1-carboxylate is CC(C)COC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1.
What is the InChIKey of 2-methylpropyl 4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine-1-carboxylate?
The InChIKey is PATZWEHFDRJKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4S/c1-14(2)13-24-18(21)19-8-10-20(11-9-19)25(22,23)17-7-6-15-4-3-5-16(15)12-17/h6-7,12,14H,3-5,8-11,13H2,1-2H3.
What are the key properties of 2-methylpropyl 4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine-1-carboxylate?
2-methylpropyl 4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine-1-carboxylate has a molecular weight of 366.48 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine-1-carboxylate is sourced from PubChem (CID 9116152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).