N-(1H-indol-3-yl)-N-sulfanylformamide

C9H8N2OS — CID 174315723

IUPACN-(1H-indol-3-yl)-N-sulfanylformamide
SMILESO=CN(S)c1c[nH]c2ccccc12
InChIInChI=1S/C9H8N2OS/c12-6-11(13)9-5-10-8-4-2-1-3-7(8)9/h1-6,10,13H
InChIKeyPYRCRJVTJNYUPT-UHFFFAOYSA-N
MW192.24 g/mol
LogP1.98
Rot. Bonds2

About N-(1H-indol-3-yl)-N-sulfanylformamide

N-(1H-indol-3-yl)-N-sulfanylformamide (PubChem CID 174315723) has the molecular formula C9H8N2OS and a molecular weight of 192.24 g/mol. Its IUPAC name is N-(1H-indol-3-yl)-N-sulfanylformamide.

Molecular Properties

Compound NameN-(1H-indol-3-yl)-N-sulfanylformamide
PubChem CID174315723
Molecular FormulaC9H8N2OS
Molecular Weight192.24 g/mol
Exact Mass192.04
IUPAC NameN-(1H-indol-3-yl)-N-sulfanylformamide
SMILESO=CN(S)c1c[nH]c2ccccc12
InChIInChI=1S/C9H8N2OS/c12-6-11(13)9-5-10-8-4-2-1-3-7(8)9/h1-6,10,13H
InChIKeyPYRCRJVTJNYUPT-UHFFFAOYSA-N
XLogP1.98
TPSA36.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1,1-bis(1H-indol-3-yl)urea
CID 57486091
calcium;hydride;1H-indol-3-yl formate;hydrochloride
CID 175504569
4-[formyl(1H-indol-3-yl)amino]oxy-4-oxobutanoic acid
CID 174841220
N-methyl-N-propan-2-yl-1H-indol-3-amine
CID 117043889
2-(ethylamino)-N-(1H-indol-3-yl)-N-methylacetamide
CID 115157790
4-N-(1H-indol-3-yl)-4-N-methylbenzene-1,4-diamine
CID 117041220
(2R)-2-amino-2-(1H-indol-3-yl)acetaldehyde
CID 175028483
(Z)-4,4,4-trifluoro-3-(1H-indol-3-yl)but-2-enal
CID 23240219
3-[1H-indol-3-yl(methyl)amino]-3-methylbutanoic acid
CID 117042352
4-amino-N-(1H-indol-3-yl)-N-methylbenzamide
CID 115160993
3-(2,2-dibromoethenyl)-1H-indole
CID 130532177
5-[1H-indol-3-yl(methyl)amino]pentanoic acid
CID 115218967

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-3-yl)-N-sulfanylformamide?
The IUPAC name of N-(1H-indol-3-yl)-N-sulfanylformamide (CID 174315723) is N-(1H-indol-3-yl)-N-sulfanylformamide.
What is the SMILES notation for N-(1H-indol-3-yl)-N-sulfanylformamide?
The canonical SMILES for N-(1H-indol-3-yl)-N-sulfanylformamide is O=CN(S)c1c[nH]c2ccccc12.
What is the InChIKey of N-(1H-indol-3-yl)-N-sulfanylformamide?
The InChIKey is PYRCRJVTJNYUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2OS/c12-6-11(13)9-5-10-8-4-2-1-3-7(8)9/h1-6,10,13H.
What are the key properties of N-(1H-indol-3-yl)-N-sulfanylformamide?
N-(1H-indol-3-yl)-N-sulfanylformamide has a molecular weight of 192.24 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-3-yl)-N-sulfanylformamide is sourced from PubChem (CID 174315723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).