N-(2-morpholin-4-ylethyl)carbamodithioate

C7H13N2OS2- — CID 91929836

IUPACN-(2-morpholin-4-ylethyl)carbamodithioate
SMILESS=C([S-])NCCN1CCOCC1
InChIInChI=1S/C7H14N2OS2/c11-7(12)8-1-2-9-3-5-10-6-4-9/h1-6H2,(H2,8,11,12)/p-1
InChIKeyNFLNJRITJKGQIX-UHFFFAOYSA-M
MW205.33 g/mol
LogP-0.26
Rot. Bonds3

About N-(2-morpholin-4-ylethyl)carbamodithioate

N-(2-morpholin-4-ylethyl)carbamodithioate (PubChem CID 91929836) has the molecular formula C7H13N2OS2- and a molecular weight of 205.33 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)carbamodithioate.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)carbamodithioate
PubChem CID91929836
Molecular FormulaC7H13N2OS2-
Molecular Weight205.33 g/mol
Exact Mass205.05
IUPAC NameN-(2-morpholin-4-ylethyl)carbamodithioate
SMILESS=C([S-])NCCN1CCOCC1
InChIInChI=1S/C7H14N2OS2/c11-7(12)8-1-2-9-3-5-10-6-4-9/h1-6H2,(H2,8,11,12)/p-1
InChIKeyNFLNJRITJKGQIX-UHFFFAOYSA-M
XLogP-0.26
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.33
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

1-(2-morpholin-4-ylethyl)-3-(2-morpholin-4-ylethylcarbamothioylamino)thiourea
CID 2974218
1-tert-butyl-3-(2-morpholin-4-ylethyl)thiourea
CID 43384725
(E)-N-(2-morpholin-4-ylethyl)but-2-en-2-amine
CID 143222411
1-(3-methylbutyl)-3-(2-morpholin-4-ylethylcarbamothioylamino)thiourea
CID 8789670
1-(2-morpholin-4-ylethyl)-3-propylurea
CID 4583080
2,2,2-trichloro-N-(2-morpholin-4-ylethyl)acetamide
CID 3533686
1,2-bis(2-morpholin-4-ylethyl)guanidine
CID 141003386
N-(2-morpholin-4-ylethyl)methanethioamide
CID 59030493
3-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-3-oxopropanamide
CID 108943424
N-(2-morpholin-4-ylethyl)adamantane-2-carboxamide
CID 51250747
4-(2-morpholin-4-ylethylamino)-4-oxobutanoyl chloride
CID 39256191
1-(2-morpholin-4-ylethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 62095713

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)carbamodithioate?
The IUPAC name of N-(2-morpholin-4-ylethyl)carbamodithioate (CID 91929836) is N-(2-morpholin-4-ylethyl)carbamodithioate.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)carbamodithioate?
The canonical SMILES for N-(2-morpholin-4-ylethyl)carbamodithioate is S=C([S-])NCCN1CCOCC1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)carbamodithioate?
The InChIKey is NFLNJRITJKGQIX-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H14N2OS2/c11-7(12)8-1-2-9-3-5-10-6-4-9/h1-6H2,(H2,8,11,12)/p-1.
What are the key properties of N-(2-morpholin-4-ylethyl)carbamodithioate?
N-(2-morpholin-4-ylethyl)carbamodithioate has a molecular weight of 205.33 g/mol, XLogP of -0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)carbamodithioate is sourced from PubChem (CID 91929836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).