tetracyclo[4.3.1.02,4.03,8]decane-6-carbothioamide

C11H15NS — CID 3656227

IUPACtetracyclo[4.3.1.02,4.03,8]decane-6-carbothioamide
SMILESNC(=S)C12CC3CC(C1)C1C(C2)C31
InChIInChI=1S/C11H15NS/c12-10(13)11-2-5-1-6(3-11)9-7(4-11)8(5)9/h5-9H,1-4H2,(H2,12,13)
InChIKeyVYOPCQWVOLQOFQ-UHFFFAOYSA-N
MW193.31 g/mol
LogP1.95
Rot. Bonds1

About tetracyclo[4.3.1.02,4.03,8]decane-6-carbothioamide

tetracyclo[4.3.1.02,4.03,8]decane-6-carbothioamide (PubChem CID 3656227) has the molecular formula C11H15NS and a molecular weight of 193.31 g/mol. Its IUPAC name is tetracyclo[4.3.1.02,4.03,8]decane-6-carbothioamide.

Molecular Properties

Compound Nametetracyclo[4.3.1.02,4.03,8]decane-6-carbothioamide
PubChem CID3656227
Molecular FormulaC11H15NS
Molecular Weight193.31 g/mol
Exact Mass193.09
IUPAC Nametetracyclo[4.3.1.02,4.03,8]decane-6-carbothioamide
SMILESNC(=S)C12CC3CC(C1)C1C(C2)C31
InChIInChI=1S/C11H15NS/c12-10(13)11-2-5-1-6(3-11)9-7(4-11)8(5)9/h5-9H,1-4H2,(H2,12,13)
InChIKeyVYOPCQWVOLQOFQ-UHFFFAOYSA-N
XLogP1.95
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1R,8S)-tetracyclo[4.3.1.02,4.03,8]decan-6-amine
CID 57338028
6-ethoxy-3-phenyladamantane-1-carbothioamide
CID 162526146
6-(methylsulfanylmethyl)-3-phenyladamantane-1-carbothioamide
CID 162525229
7-methyltricyclo[3.3.1.03,9]nonan-7-amine
CID 152844256
pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-4,9-dicarboxylic acid
CID 13022294
2-imino-4-methyl-1-(1-tetracyclo[5.3.1.03,9.05,8]undecanyl)pent-4-ene-1,3-dione
CID 165065384
[4-(hydroxymethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl]methanol
CID 153180704
2-[3-(aminomethyl)-3-bicyclo[3.1.0]hexanyl]acetic acid
CID 11557357
3-methyltricyclo[3.2.0.02,7]heptan-3-amine
CID 131861725
4-aminoadamantane-1-carboxylic acid;hydrochloride
CID 67549103
(1R,3R,4R,5S,6S,8S)-tetracyclo[6.2.1.13,6.02,7]dodecane-4,5-diol
CID 10774199
(3R)-3-iodobicyclo[2.1.1]hexane-1-carboxamide
CID 149307093

Frequently Asked Questions

What is the IUPAC name of tetracyclo[4.3.1.02,4.03,8]decane-6-carbothioamide?
The IUPAC name of tetracyclo[4.3.1.02,4.03,8]decane-6-carbothioamide (CID 3656227) is tetracyclo[4.3.1.02,4.03,8]decane-6-carbothioamide.
What is the SMILES notation for tetracyclo[4.3.1.02,4.03,8]decane-6-carbothioamide?
The canonical SMILES for tetracyclo[4.3.1.02,4.03,8]decane-6-carbothioamide is NC(=S)C12CC3CC(C1)C1C(C2)C31.
What is the InChIKey of tetracyclo[4.3.1.02,4.03,8]decane-6-carbothioamide?
The InChIKey is VYOPCQWVOLQOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NS/c12-10(13)11-2-5-1-6(3-11)9-7(4-11)8(5)9/h5-9H,1-4H2,(H2,12,13).
What are the key properties of tetracyclo[4.3.1.02,4.03,8]decane-6-carbothioamide?
tetracyclo[4.3.1.02,4.03,8]decane-6-carbothioamide has a molecular weight of 193.31 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tetracyclo[4.3.1.02,4.03,8]decane-6-carbothioamide is sourced from PubChem (CID 3656227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).