cyclopropyl-[4-(3,4-dihydro-2H-thiochromen-6-ylsulfonyl)piperazin-1-yl]methanone

C17H22N2O3S2 — CID 110817583

IUPACcyclopropyl-[4-(3,4-dihydro-2H-thiochromen-6-ylsulfonyl)piperazin-1-yl]methanone
SMILESO=C(C1CC1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCS3)CC1
InChIInChI=1S/C17H22N2O3S2/c20-17(13-3-4-13)18-7-9-19(10-8-18)24(21,22)15-5-6-16-14(12-15)2-1-11-23-16/h5-6,12-13H,1-4,7-11H2
InChIKeyHSFOACLVZJHFKJ-UHFFFAOYSA-N
MW366.51 g/mol
LogP1.97
Rot. Bonds3

About cyclopropyl-[4-(3,4-dihydro-2H-thiochromen-6-ylsulfonyl)piperazin-1-yl]methanone

cyclopropyl-[4-(3,4-dihydro-2H-thiochromen-6-ylsulfonyl)piperazin-1-yl]methanone (PubChem CID 110817583) has the molecular formula C17H22N2O3S2 and a molecular weight of 366.51 g/mol. Its IUPAC name is cyclopropyl-[4-(3,4-dihydro-2H-thiochromen-6-ylsulfonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-(3,4-dihydro-2H-thiochromen-6-ylsulfonyl)piperazin-1-yl]methanone
PubChem CID110817583
Molecular FormulaC17H22N2O3S2
Molecular Weight366.51 g/mol
Exact Mass366.11
IUPAC Namecyclopropyl-[4-(3,4-dihydro-2H-thiochromen-6-ylsulfonyl)piperazin-1-yl]methanone
SMILESO=C(C1CC1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCS3)CC1
InChIInChI=1S/C17H22N2O3S2/c20-17(13-3-4-13)18-7-9-19(10-8-18)24(21,22)15-5-6-16-14(12-15)2-1-11-23-16/h5-6,12-13H,1-4,7-11H2
InChIKeyHSFOACLVZJHFKJ-UHFFFAOYSA-N
XLogP1.97
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze cyclopropyl-[4-(3,4-dihydro-2H-thiochromen-6-ylsulfonyl)piperazin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cyclobutyl-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]methanone
CID 8641227
[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-piperidin-4-ylmethanone;hydrochloride
CID 119270351
[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 17407991
azepan-1-yl-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]methanone
CID 30855869
cyclopropyl-(6-pyrrolidin-1-ylsulfonyl-2,3-dihydro-1,4-benzothiazin-4-yl)methanone
CID 46283729
[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone
CID 119687808
[6-(azepan-1-ylsulfonyl)-2,3-dihydro-1,4-benzothiazin-4-yl]-cyclopropylmethanone
CID 46283727
(4-hydroxypiperidin-1-yl)-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]methanone
CID 134014817
[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-(1-propylpiperidin-4-yl)methanone
CID 86844277
cyclopropyl-[4-(4-methylsulfonylphenyl)sulfonylpiperazin-1-yl]methanone
CID 110817571
[4-(3-chloro-4-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]-cyclopropylmethanone
CID 110797098
[4-(4-chlorophenyl)sulfonyl-1,4-diazepan-1-yl]-cyclopropylmethanone
CID 110797074

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-(3,4-dihydro-2H-thiochromen-6-ylsulfonyl)piperazin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-(3,4-dihydro-2H-thiochromen-6-ylsulfonyl)piperazin-1-yl]methanone (CID 110817583) is cyclopropyl-[4-(3,4-dihydro-2H-thiochromen-6-ylsulfonyl)piperazin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-(3,4-dihydro-2H-thiochromen-6-ylsulfonyl)piperazin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-(3,4-dihydro-2H-thiochromen-6-ylsulfonyl)piperazin-1-yl]methanone is O=C(C1CC1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCS3)CC1.
What is the InChIKey of cyclopropyl-[4-(3,4-dihydro-2H-thiochromen-6-ylsulfonyl)piperazin-1-yl]methanone?
The InChIKey is HSFOACLVZJHFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S2/c20-17(13-3-4-13)18-7-9-19(10-8-18)24(21,22)15-5-6-16-14(12-15)2-1-11-23-16/h5-6,12-13H,1-4,7-11H2.
What are the key properties of cyclopropyl-[4-(3,4-dihydro-2H-thiochromen-6-ylsulfonyl)piperazin-1-yl]methanone?
cyclopropyl-[4-(3,4-dihydro-2H-thiochromen-6-ylsulfonyl)piperazin-1-yl]methanone has a molecular weight of 366.51 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-(3,4-dihydro-2H-thiochromen-6-ylsulfonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 110817583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).