N-[4-(cyclopropylmethoxy)phenyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide

C15H20N2O4S — CID 131960443

IUPACN-[4-(cyclopropylmethoxy)phenyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
SMILESO=C(Nc1ccc(OCC2CC2)cc1)N1CCS(=O)(=O)CC1
InChIInChI=1S/C15H20N2O4S/c18-15(17-7-9-22(19,20)10-8-17)16-13-3-5-14(6-4-13)21-11-12-1-2-12/h3-6,12H,1-2,7-11H2,(H,16,18)
InChIKeyMDSKJGHHSQDAHX-UHFFFAOYSA-N
MW324.40 g/mol
LogP1.74
Rot. Bonds4

About N-[4-(cyclopropylmethoxy)phenyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide

N-[4-(cyclopropylmethoxy)phenyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide (PubChem CID 131960443) has the molecular formula C15H20N2O4S and a molecular weight of 324.40 g/mol. Its IUPAC name is N-[4-(cyclopropylmethoxy)phenyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide.

Molecular Properties

Compound NameN-[4-(cyclopropylmethoxy)phenyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
PubChem CID131960443
Molecular FormulaC15H20N2O4S
Molecular Weight324.40 g/mol
Exact Mass324.11
IUPAC NameN-[4-(cyclopropylmethoxy)phenyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
SMILESO=C(Nc1ccc(OCC2CC2)cc1)N1CCS(=O)(=O)CC1
InChIInChI=1S/C15H20N2O4S/c18-15(17-7-9-22(19,20)10-8-17)16-13-3-5-14(6-4-13)21-11-12-1-2-12/h3-6,12H,1-2,7-11H2,(H,16,18)
InChIKeyMDSKJGHHSQDAHX-UHFFFAOYSA-N
XLogP1.74
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(phenoxymethyl)-N-phenylpiperidine-1-carboxamide
CID 110638783
1-[[4-(cyclohexylmethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122078438
4-(methoxymethyl)-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 121091713
N-[4-(oxiran-2-ylmethoxy)phenyl]morpholine-4-carboxamide
CID 71370344
N-[4-(1-hydroxyethyl)phenyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 61341797
1-amino-N-[4-(cyclopropylmethoxy)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119325257
3-methyl-1-[[4-(oxan-4-ylmethoxy)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122085120
N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 140895054
N-[4-(2-aminoethoxy)phenyl]-4-methylpiperidine-1-carboxamide
CID 79160192
1-N-(4-cyanophenyl)-4-N-(cyclopropylmethyl)-1,4-diazepane-1,4-dicarboxamide
CID 23852889
N-[4-(azocan-4-ylmethoxy)phenyl]-4-(4-chlorophenyl)piperidine-1-carboxamide
CID 143182239
4-[(4-hydroxyphenoxy)methyl]-N-[3-methyl-4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 67236752

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopropylmethoxy)phenyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide?
The IUPAC name of N-[4-(cyclopropylmethoxy)phenyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide (CID 131960443) is N-[4-(cyclopropylmethoxy)phenyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide.
What is the SMILES notation for N-[4-(cyclopropylmethoxy)phenyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide?
The canonical SMILES for N-[4-(cyclopropylmethoxy)phenyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide is O=C(Nc1ccc(OCC2CC2)cc1)N1CCS(=O)(=O)CC1.
What is the InChIKey of N-[4-(cyclopropylmethoxy)phenyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide?
The InChIKey is MDSKJGHHSQDAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4S/c18-15(17-7-9-22(19,20)10-8-17)16-13-3-5-14(6-4-13)21-11-12-1-2-12/h3-6,12H,1-2,7-11H2,(H,16,18).
What are the key properties of N-[4-(cyclopropylmethoxy)phenyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide?
N-[4-(cyclopropylmethoxy)phenyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide has a molecular weight of 324.40 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopropylmethoxy)phenyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide is sourced from PubChem (CID 131960443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).