(1,1-dioxo-1,4-thiazinan-4-yl)-(1-methylpyrrol-2-yl)methanone

C10H14N2O3S — CID 146123880

IUPAC(1,1-dioxo-1,4-thiazinan-4-yl)-(1-methylpyrrol-2-yl)methanone
SMILESCn1cccc1C(=O)N1CCS(=O)(=O)CC1
InChIInChI=1S/C10H14N2O3S/c1-11-4-2-3-9(11)10(13)12-5-7-16(14,15)8-6-12/h2-4H,5-8H2,1H3
InChIKeyHAEGQHBVDFKHCB-UHFFFAOYSA-N
MW242.30 g/mol
LogP-0.10
Rot. Bonds1

About (1,1-dioxo-1,4-thiazinan-4-yl)-(1-methylpyrrol-2-yl)methanone

(1,1-dioxo-1,4-thiazinan-4-yl)-(1-methylpyrrol-2-yl)methanone (PubChem CID 146123880) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is (1,1-dioxo-1,4-thiazinan-4-yl)-(1-methylpyrrol-2-yl)methanone.

Molecular Properties

Compound Name(1,1-dioxo-1,4-thiazinan-4-yl)-(1-methylpyrrol-2-yl)methanone
PubChem CID146123880
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Name(1,1-dioxo-1,4-thiazinan-4-yl)-(1-methylpyrrol-2-yl)methanone
SMILESCn1cccc1C(=O)N1CCS(=O)(=O)CC1
InChIInChI=1S/C10H14N2O3S/c1-11-4-2-3-9(11)10(13)12-5-7-16(14,15)8-6-12/h2-4H,5-8H2,1H3
InChIKeyHAEGQHBVDFKHCB-UHFFFAOYSA-N
XLogP-0.10
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 5-0.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(difluoromethylidene)piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 126829415
[4-(4-hydroxyphenyl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 112763018
[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 134062270
[4-(fluoromethyl)piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 126791630
(1-methylpyrrol-2-yl)-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methanone
CID 71977597
[4-(methylaminomethyl)piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 63250656
(1,1-dioxo-1,4-thiazinan-4-yl)-(1-methylindol-4-yl)methanone
CID 71879331
(1-methylpyrrol-2-yl)-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone
CID 3234689
(1-methylpyrrol-2-yl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone
CID 110467043
(3-methylpiperazin-1-yl)-(1-methylpyrrol-2-yl)methanone
CID 65416595
1-methylpyrrole-2-carboxylic acid;hydrochloride
CID 69426436
(3-amino-5-methylpiperidin-1-yl)-(1-methylpyrrol-2-yl)methanone
CID 79994014

Frequently Asked Questions

What is the IUPAC name of (1,1-dioxo-1,4-thiazinan-4-yl)-(1-methylpyrrol-2-yl)methanone?
The IUPAC name of (1,1-dioxo-1,4-thiazinan-4-yl)-(1-methylpyrrol-2-yl)methanone (CID 146123880) is (1,1-dioxo-1,4-thiazinan-4-yl)-(1-methylpyrrol-2-yl)methanone.
What is the SMILES notation for (1,1-dioxo-1,4-thiazinan-4-yl)-(1-methylpyrrol-2-yl)methanone?
The canonical SMILES for (1,1-dioxo-1,4-thiazinan-4-yl)-(1-methylpyrrol-2-yl)methanone is Cn1cccc1C(=O)N1CCS(=O)(=O)CC1.
What is the InChIKey of (1,1-dioxo-1,4-thiazinan-4-yl)-(1-methylpyrrol-2-yl)methanone?
The InChIKey is HAEGQHBVDFKHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-11-4-2-3-9(11)10(13)12-5-7-16(14,15)8-6-12/h2-4H,5-8H2,1H3.
What are the key properties of (1,1-dioxo-1,4-thiazinan-4-yl)-(1-methylpyrrol-2-yl)methanone?
(1,1-dioxo-1,4-thiazinan-4-yl)-(1-methylpyrrol-2-yl)methanone has a molecular weight of 242.30 g/mol, XLogP of -0.10, 1 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)-(1-methylpyrrol-2-yl)methanone is sourced from PubChem (CID 146123880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).