[(6aR,10aR)-6a,7,8,9,10,10a-hexahydro-6H-indolo[4,3-fg]quinolin-4-yl]sulfanylurea

C15H18N4OS — CID 88599822

IUPAC[(6aR,10aR)-6a,7,8,9,10,10a-hexahydro-6H-indolo[4,3-fg]quinolin-4-yl]sulfanylurea
SMILESNC(=O)NSn1cc2c3c(cccc31)[C@H]1CCCN[C@@H]1C2
InChIInChI=1S/C15H18N4OS/c16-15(20)18-21-19-8-9-7-12-10(4-2-6-17-12)11-3-1-5-13(19)14(9)11/h1,3,5,8,10,12,17H,2,4,6-7H2,(H3,16,18,20)/t10-,12-/m1/s1
InChIKeyRLKKXSPBHDLVEP-ZYHUDNBSSA-N
MW302.40 g/mol
LogP2.11
Rot. Bonds2

About [(6aR,10aR)-6a,7,8,9,10,10a-hexahydro-6H-indolo[4,3-fg]quinolin-4-yl]sulfanylurea

[(6aR,10aR)-6a,7,8,9,10,10a-hexahydro-6H-indolo[4,3-fg]quinolin-4-yl]sulfanylurea (PubChem CID 88599822) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is [(6aR,10aR)-6a,7,8,9,10,10a-hexahydro-6H-indolo[4,3-fg]quinolin-4-yl]sulfanylurea.

Molecular Properties

Compound Name[(6aR,10aR)-6a,7,8,9,10,10a-hexahydro-6H-indolo[4,3-fg]quinolin-4-yl]sulfanylurea
PubChem CID88599822
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC Name[(6aR,10aR)-6a,7,8,9,10,10a-hexahydro-6H-indolo[4,3-fg]quinolin-4-yl]sulfanylurea
SMILESNC(=O)NSn1cc2c3c(cccc31)[C@H]1CCCN[C@@H]1C2
InChIInChI=1S/C15H18N4OS/c16-15(20)18-21-19-8-9-7-12-10(4-2-6-17-12)11-3-1-5-13(19)14(9)11/h1,3,5,8,10,12,17H,2,4,6-7H2,(H3,16,18,20)/t10-,12-/m1/s1
InChIKeyRLKKXSPBHDLVEP-ZYHUDNBSSA-N
XLogP2.11
TPSA72.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(6aR,10aR)-6a,7,8,9,10,10a-hexahydro-6H-indolo[4,3-fg]quinolin-4-yl]sulfanylurea with MolForge

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Launch Full Analysis

Related Compounds

[(6aR,10aR)-6a,7,8,9,10,10a-hexahydro-6H-indolo[4,3-fg]quinolin-4-yl]urea
CID 57139095
6a,7,8,9,10,10a-hexahydro-6H-indolo[4,3-fg]quinolin-4-ylthiourea
CID 21277303
(6aR,10aR)-4-fluoro-6a,7,8,9,10,10a-hexahydro-6H-indolo[4,3-fg]quinoline
CID 67754280
CID 67851799
CID 67851799
(6aR,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline;ethane-1,2-diamine
CID 175449167
1,2,3,3a,4,8b-hexahydroindeno[2,1-b]pyrrole;carbamic acid
CID 67722787
(6aR,10aR)-5-ethenyl-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline
CID 57138620
(6aR,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-5-carbaldehyde
CID 88506814
7-bromo-2,3,4,4a,9,9a-hexahydro-1H-indeno[2,1-b]pyridine
CID 67193567
(6aR,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline;3-[(6aR,9S,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-1,1-diethylurea
CID 70480193
2-[(6aR,9S)-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]ethyl azepane-2-carboxylate
CID 57019369
8-pyrrolidin-2-yl-5,6,7,8-tetrahydronaphthalene-1-carboxamide
CID 118008523

Frequently Asked Questions

What is the IUPAC name of [(6aR,10aR)-6a,7,8,9,10,10a-hexahydro-6H-indolo[4,3-fg]quinolin-4-yl]sulfanylurea?
The IUPAC name of [(6aR,10aR)-6a,7,8,9,10,10a-hexahydro-6H-indolo[4,3-fg]quinolin-4-yl]sulfanylurea (CID 88599822) is [(6aR,10aR)-6a,7,8,9,10,10a-hexahydro-6H-indolo[4,3-fg]quinolin-4-yl]sulfanylurea.
What is the SMILES notation for [(6aR,10aR)-6a,7,8,9,10,10a-hexahydro-6H-indolo[4,3-fg]quinolin-4-yl]sulfanylurea?
The canonical SMILES for [(6aR,10aR)-6a,7,8,9,10,10a-hexahydro-6H-indolo[4,3-fg]quinolin-4-yl]sulfanylurea is NC(=O)NSn1cc2c3c(cccc31)[C@H]1CCCN[C@@H]1C2.
What is the InChIKey of [(6aR,10aR)-6a,7,8,9,10,10a-hexahydro-6H-indolo[4,3-fg]quinolin-4-yl]sulfanylurea?
The InChIKey is RLKKXSPBHDLVEP-ZYHUDNBSSA-N. The full InChI is InChI=1S/C15H18N4OS/c16-15(20)18-21-19-8-9-7-12-10(4-2-6-17-12)11-3-1-5-13(19)14(9)11/h1,3,5,8,10,12,17H,2,4,6-7H2,(H3,16,18,20)/t10-,12-/m1/s1.
What are the key properties of [(6aR,10aR)-6a,7,8,9,10,10a-hexahydro-6H-indolo[4,3-fg]quinolin-4-yl]sulfanylurea?
[(6aR,10aR)-6a,7,8,9,10,10a-hexahydro-6H-indolo[4,3-fg]quinolin-4-yl]sulfanylurea has a molecular weight of 302.40 g/mol, XLogP of 2.11, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(6aR,10aR)-6a,7,8,9,10,10a-hexahydro-6H-indolo[4,3-fg]quinolin-4-yl]sulfanylurea is sourced from PubChem (CID 88599822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).