S-morpholin-4-yl N-(1H-indole-3-carbonyl)carbamothioate

C14H15N3O3S — CID 101009410

IUPACS-morpholin-4-yl N-(1H-indole-3-carbonyl)carbamothioate
SMILESO=C(NC(=O)c1c[nH]c2ccccc12)SN1CCOCC1
InChIInChI=1S/C14H15N3O3S/c18-13(11-9-15-12-4-2-1-3-10(11)12)16-14(19)21-17-5-7-20-8-6-17/h1-4,9,15H,5-8H2,(H,16,18,19)
InChIKeyYGEGGFNOZQUXFQ-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.00
Rot. Bonds2

About S-morpholin-4-yl N-(1H-indole-3-carbonyl)carbamothioate

S-morpholin-4-yl N-(1H-indole-3-carbonyl)carbamothioate (PubChem CID 101009410) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is S-morpholin-4-yl N-(1H-indole-3-carbonyl)carbamothioate.

Molecular Properties

Compound NameS-morpholin-4-yl N-(1H-indole-3-carbonyl)carbamothioate
PubChem CID101009410
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC NameS-morpholin-4-yl N-(1H-indole-3-carbonyl)carbamothioate
SMILESO=C(NC(=O)c1c[nH]c2ccccc12)SN1CCOCC1
InChIInChI=1S/C14H15N3O3S/c18-13(11-9-15-12-4-2-1-3-10(11)12)16-14(19)21-17-5-7-20-8-6-17/h1-4,9,15H,5-8H2,(H,16,18,19)
InChIKeyYGEGGFNOZQUXFQ-UHFFFAOYSA-N
XLogP2.00
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

1H-indol-3-yl(morpholin-4-yl)methanone
CID 1481812
N-[(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-1H-indole-3-carboxamide
CID 2354777
N-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-1H-indole-3-carboxamide
CID 6902069
N-[(4-methyloxan-4-yl)methyl]-1H-indole-3-carboxamide
CID 103742649
N-(1-methylcyclopropyl)-1H-indole-3-carboxamide
CID 115634491
N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-1H-indole-3-carboxamide
CID 31909519
N-(propan-2-ylideneamino)-1H-indole-3-carboxamide
CID 3706712
1H-indol-3-yl(oxazinan-2-yl)methanone
CID 113375881
N'-acetyl-1H-indole-3-carbohydrazide
CID 4271892
N-(2-hydroxyphenyl)-1H-indole-3-carboxamide
CID 57210773
[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl] 1H-indole-3-carboxylate
CID 30755132
6-amino-N-morpholin-4-yl-1H-indole-3-carboxamide
CID 83012813

Frequently Asked Questions

What is the IUPAC name of S-morpholin-4-yl N-(1H-indole-3-carbonyl)carbamothioate?
The IUPAC name of S-morpholin-4-yl N-(1H-indole-3-carbonyl)carbamothioate (CID 101009410) is S-morpholin-4-yl N-(1H-indole-3-carbonyl)carbamothioate.
What is the SMILES notation for S-morpholin-4-yl N-(1H-indole-3-carbonyl)carbamothioate?
The canonical SMILES for S-morpholin-4-yl N-(1H-indole-3-carbonyl)carbamothioate is O=C(NC(=O)c1c[nH]c2ccccc12)SN1CCOCC1.
What is the InChIKey of S-morpholin-4-yl N-(1H-indole-3-carbonyl)carbamothioate?
The InChIKey is YGEGGFNOZQUXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c18-13(11-9-15-12-4-2-1-3-10(11)12)16-14(19)21-17-5-7-20-8-6-17/h1-4,9,15H,5-8H2,(H,16,18,19).
What are the key properties of S-morpholin-4-yl N-(1H-indole-3-carbonyl)carbamothioate?
S-morpholin-4-yl N-(1H-indole-3-carbonyl)carbamothioate has a molecular weight of 305.36 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for S-morpholin-4-yl N-(1H-indole-3-carbonyl)carbamothioate is sourced from PubChem (CID 101009410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).