N'-cyclopentyl-3-methylsulfonylthiomorpholine-4-carboximidamide

C11H21N3O2S2 — CID 66384795

IUPACN'-cyclopentyl-3-methylsulfonylthiomorpholine-4-carboximidamide
SMILESCS(=O)(=O)C1CSCCN1/C(N)=N/C1CCCC1
InChIInChI=1S/C11H21N3O2S2/c1-18(15,16)10-8-17-7-6-14(10)11(12)13-9-4-2-3-5-9/h9-10H,2-8H2,1H3,(H2,12,13)
InChIKeyIXIFBCKOGOYVBW-UHFFFAOYSA-N
MW291.44 g/mol
LogP0.66
Rot. Bonds2

About N'-cyclopentyl-3-methylsulfonylthiomorpholine-4-carboximidamide

N'-cyclopentyl-3-methylsulfonylthiomorpholine-4-carboximidamide (PubChem CID 66384795) has the molecular formula C11H21N3O2S2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N'-cyclopentyl-3-methylsulfonylthiomorpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-cyclopentyl-3-methylsulfonylthiomorpholine-4-carboximidamide
PubChem CID66384795
Molecular FormulaC11H21N3O2S2
Molecular Weight291.44 g/mol
Exact Mass291.11
IUPAC NameN'-cyclopentyl-3-methylsulfonylthiomorpholine-4-carboximidamide
SMILESCS(=O)(=O)C1CSCCN1/C(N)=N/C1CCCC1
InChIInChI=1S/C11H21N3O2S2/c1-18(15,16)10-8-17-7-6-14(10)11(12)13-9-4-2-3-5-9/h9-10H,2-8H2,1H3,(H2,12,13)
InChIKeyIXIFBCKOGOYVBW-UHFFFAOYSA-N
XLogP0.66
TPSA75.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-(diaminomethylidene)-3-methylsulfonylthiomorpholine-4-carboximidamide
CID 83035120
3-(3-methylsulfonylthiomorpholin-4-yl)-3-oxopropanethioamide
CID 66384218
1-(3-methylsulfonylthiomorpholin-4-yl)-2-sulfanylethanone
CID 66382518
N-methyl-3-methylsulfonylthiomorpholine-4-carboxamide
CID 116656564
3-chloro-1-(3-methylsulfonylthiomorpholin-4-yl)propan-1-one
CID 66384162
1-(3-methylsulfonylthiomorpholin-4-yl)-2-sulfanylpropan-1-one
CID 107031839
4-(3-methylsulfonylthiomorpholin-4-yl)-4-oxobutanoic acid
CID 66384140
2-(2-aminoethoxy)-1-(3-methylsulfonylthiomorpholin-4-yl)ethanone
CID 79478289
(4-aminooxolan-3-yl)-(3-methylsulfonylthiomorpholin-4-yl)methanone
CID 66384018
[1-(aminomethyl)cyclohexyl]-(3-methylsulfonylthiomorpholin-4-yl)methanone
CID 115437991
[1-(aminomethyl)cycloheptyl]-(3-methylsulfonylthiomorpholin-4-yl)methanone
CID 115444203
2-[2-(3-methylsulfonylthiomorpholin-4-yl)-2-oxoethoxy]acetic acid
CID 66384334

Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-3-methylsulfonylthiomorpholine-4-carboximidamide?
The IUPAC name of N'-cyclopentyl-3-methylsulfonylthiomorpholine-4-carboximidamide (CID 66384795) is N'-cyclopentyl-3-methylsulfonylthiomorpholine-4-carboximidamide.
What is the SMILES notation for N'-cyclopentyl-3-methylsulfonylthiomorpholine-4-carboximidamide?
The canonical SMILES for N'-cyclopentyl-3-methylsulfonylthiomorpholine-4-carboximidamide is CS(=O)(=O)C1CSCCN1/C(N)=N/C1CCCC1.
What is the InChIKey of N'-cyclopentyl-3-methylsulfonylthiomorpholine-4-carboximidamide?
The InChIKey is IXIFBCKOGOYVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2S2/c1-18(15,16)10-8-17-7-6-14(10)11(12)13-9-4-2-3-5-9/h9-10H,2-8H2,1H3,(H2,12,13).
What are the key properties of N'-cyclopentyl-3-methylsulfonylthiomorpholine-4-carboximidamide?
N'-cyclopentyl-3-methylsulfonylthiomorpholine-4-carboximidamide has a molecular weight of 291.44 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-3-methylsulfonylthiomorpholine-4-carboximidamide is sourced from PubChem (CID 66384795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).