N-(3-butoxypropylcarbamoyl)-N-(2-thiomorpholin-4-ylethyl)formamide

C15H29N3O3S — CID 91009066

IUPACN-(3-butoxypropylcarbamoyl)-N-(2-thiomorpholin-4-ylethyl)formamide
SMILESCCCCOCCCNC(=O)N(C=O)CCN1CCSCC1
InChIInChI=1S/C15H29N3O3S/c1-2-3-10-21-11-4-5-16-15(20)18(14-19)7-6-17-8-12-22-13-9-17/h14H,2-13H2,1H3,(H,16,20)
InChIKeyGQPXVJYGTNBWQB-UHFFFAOYSA-N
MW331.48 g/mol
LogP1.41
Rot. Bonds11

About N-(3-butoxypropylcarbamoyl)-N-(2-thiomorpholin-4-ylethyl)formamide

N-(3-butoxypropylcarbamoyl)-N-(2-thiomorpholin-4-ylethyl)formamide (PubChem CID 91009066) has the molecular formula C15H29N3O3S and a molecular weight of 331.48 g/mol. Its IUPAC name is N-(3-butoxypropylcarbamoyl)-N-(2-thiomorpholin-4-ylethyl)formamide.

Molecular Properties

Compound NameN-(3-butoxypropylcarbamoyl)-N-(2-thiomorpholin-4-ylethyl)formamide
PubChem CID91009066
Molecular FormulaC15H29N3O3S
Molecular Weight331.48 g/mol
Exact Mass331.19
IUPAC NameN-(3-butoxypropylcarbamoyl)-N-(2-thiomorpholin-4-ylethyl)formamide
SMILESCCCCOCCCNC(=O)N(C=O)CCN1CCSCC1
InChIInChI=1S/C15H29N3O3S/c1-2-3-10-21-11-4-5-16-15(20)18(14-19)7-6-17-8-12-22-13-9-17/h14H,2-13H2,1H3,(H,16,20)
InChIKeyGQPXVJYGTNBWQB-UHFFFAOYSA-N
XLogP1.41
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.48
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-butoxypropyl)azetidine-1-carboxamide
CID 71943747
N-(3-butoxypropyl)-2-(propylamino)acetamide
CID 115574332
2-amino-N-(2-thiomorpholin-4-ylethyl)hexanamide
CID 113310726
3-[3-(butylamino)propoxy]propyl N-butylcarbamate
CID 87800133
2-[2-(butylcarbamoyloxy)ethyl-(2-piperidin-1-ylethyl)amino]ethyl N-butylcarbamate;dihydrochloride
CID 67933469
ethyl 4-[N-(3-butoxypropyl)-N'-methylcarbamimidoyl]piperazine-1-carboxylate;hydroiodide
CID 111163796
1-(3-butoxypropyl)-3-(3-chloro-4-thiomorpholin-4-ylphenyl)urea
CID 60611816
3-butoxypropylurea
CID 115575573
N-propyl-5-thiomorpholin-4-ylpentan-1-amine
CID 62417898
1-(3-butoxypropyl)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]urea
CID 78880738
(2S)-2-amino-N-(3-butoxypropyl)-3-cyclopropylpropanamide
CID 112735431
1-(3-methoxypropyl)-3-(2-thiomorpholin-4-ylethyl)thiourea
CID 103659104

Frequently Asked Questions

What is the IUPAC name of N-(3-butoxypropylcarbamoyl)-N-(2-thiomorpholin-4-ylethyl)formamide?
The IUPAC name of N-(3-butoxypropylcarbamoyl)-N-(2-thiomorpholin-4-ylethyl)formamide (CID 91009066) is N-(3-butoxypropylcarbamoyl)-N-(2-thiomorpholin-4-ylethyl)formamide.
What is the SMILES notation for N-(3-butoxypropylcarbamoyl)-N-(2-thiomorpholin-4-ylethyl)formamide?
The canonical SMILES for N-(3-butoxypropylcarbamoyl)-N-(2-thiomorpholin-4-ylethyl)formamide is CCCCOCCCNC(=O)N(C=O)CCN1CCSCC1.
What is the InChIKey of N-(3-butoxypropylcarbamoyl)-N-(2-thiomorpholin-4-ylethyl)formamide?
The InChIKey is GQPXVJYGTNBWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3S/c1-2-3-10-21-11-4-5-16-15(20)18(14-19)7-6-17-8-12-22-13-9-17/h14H,2-13H2,1H3,(H,16,20).
What are the key properties of N-(3-butoxypropylcarbamoyl)-N-(2-thiomorpholin-4-ylethyl)formamide?
N-(3-butoxypropylcarbamoyl)-N-(2-thiomorpholin-4-ylethyl)formamide has a molecular weight of 331.48 g/mol, XLogP of 1.41, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butoxypropylcarbamoyl)-N-(2-thiomorpholin-4-ylethyl)formamide is sourced from PubChem (CID 91009066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).