N-(morpholin-4-ylmethylidene)morpholine-4-carbothioamide

C10H17N3O2S — CID 26975111

IUPACN-(morpholin-4-ylmethylidene)morpholine-4-carbothioamide
SMILESS=C(N=CN1CCOCC1)N1CCOCC1
InChIInChI=1S/C10H17N3O2S/c16-10(13-3-7-15-8-4-13)11-9-12-1-5-14-6-2-12/h9H,1-8H2
InChIKeyIXBQZVBUUKDFPW-UHFFFAOYSA-N
MW243.33 g/mol
LogP-0.04
Rot. Bonds1

About N-(morpholin-4-ylmethylidene)morpholine-4-carbothioamide

N-(morpholin-4-ylmethylidene)morpholine-4-carbothioamide (PubChem CID 26975111) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is N-(morpholin-4-ylmethylidene)morpholine-4-carbothioamide.

Molecular Properties

Compound NameN-(morpholin-4-ylmethylidene)morpholine-4-carbothioamide
PubChem CID26975111
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC NameN-(morpholin-4-ylmethylidene)morpholine-4-carbothioamide
SMILESS=C(N=CN1CCOCC1)N1CCOCC1
InChIInChI=1S/C10H17N3O2S/c16-10(13-3-7-15-8-4-13)11-9-12-1-5-14-6-2-12/h9H,1-8H2
InChIKeyIXBQZVBUUKDFPW-UHFFFAOYSA-N
XLogP-0.04
TPSA37.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 5-0.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-morpholin-4-ylmethylidenethiourea
CID 13127078
(3E)-1-methyl-3-(morpholin-4-ylmethylidene)-1-phenylthiourea
CID 11300032
N-(morpholin-4-ylmethylidene)benzamide
CID 71741109
CID 177489628
CID 177489628
1,4,7,10,13-pentaoxa-16-azacyclooctadecane-16-carbodithioic acid
CID 11187568
1,4,7-trioxa-10-azacyclododecane-10-carbodithioate
CID 58922118
ethane;1-morpholin-4-ylethanethione
CID 142226083
sodium 1,4,7,10-tetraoxa-13-azacyclopentadecane-13-carbodithioate
CID 58922103
(2E)-3-amino-5-methyl-1-morpholin-4-ylhexa-2,4-diene-1-thione
CID 45118722
morpholine-4-carbaldehyde;1-morpholin-4-ylethanone
CID 158454049
methyl morpholine-4-carbodithioate
CID 5043631
(Z)-N-[chloro(morpholin-4-yl)methyl]-1-morpholin-4-ylmethanimine
CID 134893198

Frequently Asked Questions

What is the IUPAC name of N-(morpholin-4-ylmethylidene)morpholine-4-carbothioamide?
The IUPAC name of N-(morpholin-4-ylmethylidene)morpholine-4-carbothioamide (CID 26975111) is N-(morpholin-4-ylmethylidene)morpholine-4-carbothioamide.
What is the SMILES notation for N-(morpholin-4-ylmethylidene)morpholine-4-carbothioamide?
The canonical SMILES for N-(morpholin-4-ylmethylidene)morpholine-4-carbothioamide is S=C(N=CN1CCOCC1)N1CCOCC1.
What is the InChIKey of N-(morpholin-4-ylmethylidene)morpholine-4-carbothioamide?
The InChIKey is IXBQZVBUUKDFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c16-10(13-3-7-15-8-4-13)11-9-12-1-5-14-6-2-12/h9H,1-8H2.
What are the key properties of N-(morpholin-4-ylmethylidene)morpholine-4-carbothioamide?
N-(morpholin-4-ylmethylidene)morpholine-4-carbothioamide has a molecular weight of 243.33 g/mol, XLogP of -0.04, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(morpholin-4-ylmethylidene)morpholine-4-carbothioamide is sourced from PubChem (CID 26975111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).