N-[3-(dimethylamino)propyl]morpholine-4-carbothioamide

C10H21N3OS — CID 43384794

IUPACN-[3-(dimethylamino)propyl]morpholine-4-carbothioamide
SMILESCN(C)CCCNC(=S)N1CCOCC1
InChIInChI=1S/C10H21N3OS/c1-12(2)5-3-4-11-10(15)13-6-8-14-9-7-13/h3-9H2,1-2H3,(H,11,15)
InChIKeyMDCZMSKYQDNZIB-UHFFFAOYSA-N
MW231.36 g/mol
LogP0.14
Rot. Bonds4

About N-[3-(dimethylamino)propyl]morpholine-4-carbothioamide

N-[3-(dimethylamino)propyl]morpholine-4-carbothioamide (PubChem CID 43384794) has the molecular formula C10H21N3OS and a molecular weight of 231.36 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]morpholine-4-carbothioamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]morpholine-4-carbothioamide
PubChem CID43384794
Molecular FormulaC10H21N3OS
Molecular Weight231.36 g/mol
Exact Mass231.14
IUPAC NameN-[3-(dimethylamino)propyl]morpholine-4-carbothioamide
SMILESCN(C)CCCNC(=S)N1CCOCC1
InChIInChI=1S/C10H21N3OS/c1-12(2)5-3-4-11-10(15)13-6-8-14-9-7-13/h3-9H2,1-2H3,(H,11,15)
InChIKeyMDCZMSKYQDNZIB-UHFFFAOYSA-N
XLogP0.14
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]morpholine-4-carbothioamide?
The IUPAC name of N-[3-(dimethylamino)propyl]morpholine-4-carbothioamide (CID 43384794) is N-[3-(dimethylamino)propyl]morpholine-4-carbothioamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]morpholine-4-carbothioamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]morpholine-4-carbothioamide is CN(C)CCCNC(=S)N1CCOCC1.
What is the InChIKey of N-[3-(dimethylamino)propyl]morpholine-4-carbothioamide?
The InChIKey is MDCZMSKYQDNZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3OS/c1-12(2)5-3-4-11-10(15)13-6-8-14-9-7-13/h3-9H2,1-2H3,(H,11,15).
What are the key properties of N-[3-(dimethylamino)propyl]morpholine-4-carbothioamide?
N-[3-(dimethylamino)propyl]morpholine-4-carbothioamide has a molecular weight of 231.36 g/mol, XLogP of 0.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]morpholine-4-carbothioamide is sourced from PubChem (CID 43384794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).