N-[4-[(1-cyclopentylpyrazol-3-yl)methyl]-1-oxo-1,4-thiazinan-1-ylidene]methanesulfonamide

C14H24N4O3S2 — CID 154841188

IUPACN-[4-[(1-cyclopentylpyrazol-3-yl)methyl]-1-oxo-1,4-thiazinan-1-ylidene]methanesulfonamide
SMILESCS(=O)(=O)N=S1(=O)CCN(Cc2ccn(C3CCCC3)n2)CC1
InChIInChI=1S/C14H24N4O3S2/c1-22(19,20)16-23(21)10-8-17(9-11-23)12-13-6-7-18(15-13)14-4-2-3-5-14/h6-7,14H,2-5,8-12H2,1H3
InChIKeyHJINDXGYGRTLMA-UHFFFAOYSA-N
MW360.51 g/mol
LogP1.24
Rot. Bonds4

About N-[4-[(1-cyclopentylpyrazol-3-yl)methyl]-1-oxo-1,4-thiazinan-1-ylidene]methanesulfonamide

N-[4-[(1-cyclopentylpyrazol-3-yl)methyl]-1-oxo-1,4-thiazinan-1-ylidene]methanesulfonamide (PubChem CID 154841188) has the molecular formula C14H24N4O3S2 and a molecular weight of 360.51 g/mol. Its IUPAC name is N-[4-[(1-cyclopentylpyrazol-3-yl)methyl]-1-oxo-1,4-thiazinan-1-ylidene]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[(1-cyclopentylpyrazol-3-yl)methyl]-1-oxo-1,4-thiazinan-1-ylidene]methanesulfonamide
PubChem CID154841188
Molecular FormulaC14H24N4O3S2
Molecular Weight360.51 g/mol
Exact Mass360.13
IUPAC NameN-[4-[(1-cyclopentylpyrazol-3-yl)methyl]-1-oxo-1,4-thiazinan-1-ylidene]methanesulfonamide
SMILESCS(=O)(=O)N=S1(=O)CCN(Cc2ccn(C3CCCC3)n2)CC1
InChIInChI=1S/C14H24N4O3S2/c1-22(19,20)16-23(21)10-8-17(9-11-23)12-13-6-7-18(15-13)14-4-2-3-5-14/h6-7,14H,2-5,8-12H2,1H3
InChIKeyHJINDXGYGRTLMA-UHFFFAOYSA-N
XLogP1.24
TPSA84.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.51
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[4-[(1-cyclopentylpyrazol-3-yl)methyl]-1-oxo-1,4-thiazinan-1-ylidene]methanesulfonamide 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

4-[(1-cyclopentylpyrazol-3-yl)methyl]piperazine-1-sulfonamide
CID 75382047
1-[(1-cyclohexylpyrazol-3-yl)methyl]piperidine-4-carbaldehyde
CID 64776943
1-[(1-cyclopentylpyrazol-3-yl)methyl]-4-methylpiperidin-4-ol
CID 81002641
2-[4-[(1-cyclopentylpyrazol-3-yl)methyl]piperazin-1-yl]acetic acid
CID 64785188
1-[(1-cyclopentylpyrazol-3-yl)methyl]-N-ethylpiperidin-4-amine
CID 64801540
N-[1-[(1-cyclohexylpyrazol-3-yl)methyl]piperidin-4-ylidene]hydroxylamine
CID 64784735
(3S,4R)-1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidine-3,4-diol
CID 79410698
1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]piperidin-4-yl]-N-methylmethanamine
CID 64783589
1-(2-chloroethyl)-4-[(1-cyclopentylpyrazol-3-yl)methyl]-1,4-diazepane
CID 64778323
2-[4-[(1-cyclopentylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]ethanamine
CID 64801952
2-[4-[(1-cyclopentylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]ethanol
CID 64777495
(3S,4R)-1-[(1-cyclohexylpyrazol-3-yl)methyl]pyrrolidine-3,4-diol
CID 79410877

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1-cyclopentylpyrazol-3-yl)methyl]-1-oxo-1,4-thiazinan-1-ylidene]methanesulfonamide?
The IUPAC name of N-[4-[(1-cyclopentylpyrazol-3-yl)methyl]-1-oxo-1,4-thiazinan-1-ylidene]methanesulfonamide (CID 154841188) is N-[4-[(1-cyclopentylpyrazol-3-yl)methyl]-1-oxo-1,4-thiazinan-1-ylidene]methanesulfonamide.
What is the SMILES notation for N-[4-[(1-cyclopentylpyrazol-3-yl)methyl]-1-oxo-1,4-thiazinan-1-ylidene]methanesulfonamide?
The canonical SMILES for N-[4-[(1-cyclopentylpyrazol-3-yl)methyl]-1-oxo-1,4-thiazinan-1-ylidene]methanesulfonamide is CS(=O)(=O)N=S1(=O)CCN(Cc2ccn(C3CCCC3)n2)CC1.
What is the InChIKey of N-[4-[(1-cyclopentylpyrazol-3-yl)methyl]-1-oxo-1,4-thiazinan-1-ylidene]methanesulfonamide?
The InChIKey is HJINDXGYGRTLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3S2/c1-22(19,20)16-23(21)10-8-17(9-11-23)12-13-6-7-18(15-13)14-4-2-3-5-14/h6-7,14H,2-5,8-12H2,1H3.
What are the key properties of N-[4-[(1-cyclopentylpyrazol-3-yl)methyl]-1-oxo-1,4-thiazinan-1-ylidene]methanesulfonamide?
N-[4-[(1-cyclopentylpyrazol-3-yl)methyl]-1-oxo-1,4-thiazinan-1-ylidene]methanesulfonamide has a molecular weight of 360.51 g/mol, XLogP of 1.24, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1-cyclopentylpyrazol-3-yl)methyl]-1-oxo-1,4-thiazinan-1-ylidene]methanesulfonamide is sourced from PubChem (CID 154841188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).