(1,1-dioxo-1,4-thiazinan-4-yl)-(9-pentylcarbazol-3-yl)methanone

C22H26N2O3S — CID 56651352

IUPAC(1,1-dioxo-1,4-thiazinan-4-yl)-(9-pentylcarbazol-3-yl)methanone
SMILESCCCCCn1c2ccccc2c2cc(C(=O)N3CCS(=O)(=O)CC3)ccc21
InChIInChI=1S/C22H26N2O3S/c1-2-3-6-11-24-20-8-5-4-7-18(20)19-16-17(9-10-21(19)24)22(25)23-12-14-28(26,27)15-13-23/h4-5,7-10,16H,2-3,6,11-15H2,1H3
InChIKeyYJYJBZMXVMFDSU-UHFFFAOYSA-N
MW398.53 g/mol
LogP3.86
Rot. Bonds5

About (1,1-dioxo-1,4-thiazinan-4-yl)-(9-pentylcarbazol-3-yl)methanone

(1,1-dioxo-1,4-thiazinan-4-yl)-(9-pentylcarbazol-3-yl)methanone (PubChem CID 56651352) has the molecular formula C22H26N2O3S and a molecular weight of 398.53 g/mol. Its IUPAC name is (1,1-dioxo-1,4-thiazinan-4-yl)-(9-pentylcarbazol-3-yl)methanone.

Molecular Properties

Compound Name(1,1-dioxo-1,4-thiazinan-4-yl)-(9-pentylcarbazol-3-yl)methanone
PubChem CID56651352
Molecular FormulaC22H26N2O3S
Molecular Weight398.53 g/mol
Exact Mass398.17
IUPAC Name(1,1-dioxo-1,4-thiazinan-4-yl)-(9-pentylcarbazol-3-yl)methanone
SMILESCCCCCn1c2ccccc2c2cc(C(=O)N3CCS(=O)(=O)CC3)ccc21
InChIInChI=1S/C22H26N2O3S/c1-2-3-6-11-24-20-8-5-4-7-18(20)19-16-17(9-10-21(19)24)22(25)23-12-14-28(26,27)15-13-23/h4-5,7-10,16H,2-3,6,11-15H2,1H3
InChIKeyYJYJBZMXVMFDSU-UHFFFAOYSA-N
XLogP3.86
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 44292977
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CID 11854101
(2-cyclopentyl-5-prop-2-enyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl)-(4-methylpiperidin-1-yl)methanone
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3,6-Diacetyl-9-ethylcarbazole
CID 622083
2-(3,5-dimethylphenyl)-3-[2-[4-[4-(methanesulfonamido)phenyl]butylamino]ethyl]-N,N-bis(2-methylpropyl)-1H-indole-5-carboxamide
CID 10258643
(2-Cyclopentyl-4-(isopropylsulfonyl)-1,2,3,4-tetrahydropyrrolo[3,4-b]indol-7-yl)(4-methylpiperidin-1-yl)methanone
CID 24779702
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Frequently Asked Questions

What is the IUPAC name of (1,1-dioxo-1,4-thiazinan-4-yl)-(9-pentylcarbazol-3-yl)methanone?
The IUPAC name of (1,1-dioxo-1,4-thiazinan-4-yl)-(9-pentylcarbazol-3-yl)methanone (CID 56651352) is (1,1-dioxo-1,4-thiazinan-4-yl)-(9-pentylcarbazol-3-yl)methanone.
What is the SMILES notation for (1,1-dioxo-1,4-thiazinan-4-yl)-(9-pentylcarbazol-3-yl)methanone?
The canonical SMILES for (1,1-dioxo-1,4-thiazinan-4-yl)-(9-pentylcarbazol-3-yl)methanone is CCCCCn1c2ccccc2c2cc(C(=O)N3CCS(=O)(=O)CC3)ccc21.
What is the InChIKey of (1,1-dioxo-1,4-thiazinan-4-yl)-(9-pentylcarbazol-3-yl)methanone?
The InChIKey is YJYJBZMXVMFDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3S/c1-2-3-6-11-24-20-8-5-4-7-18(20)19-16-17(9-10-21(19)24)22(25)23-12-14-28(26,27)15-13-23/h4-5,7-10,16H,2-3,6,11-15H2,1H3.
What are the key properties of (1,1-dioxo-1,4-thiazinan-4-yl)-(9-pentylcarbazol-3-yl)methanone?
(1,1-dioxo-1,4-thiazinan-4-yl)-(9-pentylcarbazol-3-yl)methanone has a molecular weight of 398.53 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dioxo-1,4-thiazinan-4-yl)-(9-pentylcarbazol-3-yl)methanone is sourced from PubChem (CID 56651352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).