CID 134787908

C16H19N3O3S2 — CID 134787908

IUPAC—
SMILESO=[S+]1([O-])NCC2(CCN(Cc3cccs3)CC2)Oc2ncccc21
InChIInChI=1S/C16H19N3O3S2/c20-24(21)14-4-1-7-17-15(14)22-16(12-18-24)5-8-19(9-6-16)11-13-3-2-10-23-13/h1-4,7,10H,5-6,8-9,11-12H2,(H-,18,20,21)
InChIKeyJNHAJKQDZWJCGM-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.06
Rot. Bonds2

About CID 134787908

CID 134787908 (PubChem CID 134787908) has the molecular formula C16H19N3O3S2 and a molecular weight of 365.48 g/mol.

Molecular Properties

Compound NameCID 134787908
PubChem CID134787908
Molecular FormulaC16H19N3O3S2
Molecular Weight365.48 g/mol
Exact Mass365.09
IUPAC Name—
SMILESO=[S+]1([O-])NCC2(CCN(Cc3cccs3)CC2)Oc2ncccc21
InChIInChI=1S/C16H19N3O3S2/c20-24(21)14-4-1-7-17-15(14)22-16(12-18-24)5-8-19(9-6-16)11-13-3-2-10-23-13/h1-4,7,10H,5-6,8-9,11-12H2,(H-,18,20,21)
InChIKeyJNHAJKQDZWJCGM-UHFFFAOYSA-N
XLogP2.06
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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1-(thiophen-2-ylmethyl)piperazine
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CID 23830026
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CID 134793011
CID 134800933
CID 134800933
4-benzyl-9-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane
CID 97372231
4-(thiophen-2-ylmethyl)thiomorpholine
CID 792399
(3R,5S)-N-pyrimidin-2-yl-7-(thiophen-2-ylmethyl)-1-oxa-7-azaspiro[4.4]nonan-3-amine
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[4-methyl-1-(thiophen-2-ylmethyl)piperidin-4-yl]methanol
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Frequently Asked Questions

What is the IUPAC name of CID 134787908?
The IUPAC name of CID 134787908 (CID 134787908) is not available.
What is the SMILES notation for CID 134787908?
The canonical SMILES for CID 134787908 is O=[S+]1([O-])NCC2(CCN(Cc3cccs3)CC2)Oc2ncccc21.
What is the InChIKey of CID 134787908?
The InChIKey is JNHAJKQDZWJCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S2/c20-24(21)14-4-1-7-17-15(14)22-16(12-18-24)5-8-19(9-6-16)11-13-3-2-10-23-13/h1-4,7,10H,5-6,8-9,11-12H2,(H-,18,20,21).
What are the key properties of CID 134787908?
CID 134787908 has a molecular weight of 365.48 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134787908 is sourced from PubChem (CID 134787908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).