N-cyclopropylazocane-1-carbothioamide

C11H20N2S — CID 115570256

IUPACN-cyclopropylazocane-1-carbothioamide
SMILESS=C(NC1CC1)N1CCCCCCC1
InChIInChI=1S/C11H20N2S/c14-11(12-10-6-7-10)13-8-4-2-1-3-5-9-13/h10H,1-9H2,(H,12,14)
InChIKeyBFXTWHROKWFWJL-UHFFFAOYSA-N
MW212.36 g/mol
LogP2.29
Rot. Bonds1

About N-cyclopropylazocane-1-carbothioamide

N-cyclopropylazocane-1-carbothioamide (PubChem CID 115570256) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is N-cyclopropylazocane-1-carbothioamide.

Molecular Properties

Compound NameN-cyclopropylazocane-1-carbothioamide
PubChem CID115570256
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC NameN-cyclopropylazocane-1-carbothioamide
SMILESS=C(NC1CC1)N1CCCCCCC1
InChIInChI=1S/C11H20N2S/c14-11(12-10-6-7-10)13-8-4-2-1-3-5-9-13/h10H,1-9H2,(H,12,14)
InChIKeyBFXTWHROKWFWJL-UHFFFAOYSA-N
XLogP2.29
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 52.29
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

N-cyclopropyl-4,4-dimethylpiperidine-1-carbothioamide
CID 115605781
N-(1,1-dioxothiolan-3-yl)azepane-1-carbothioamide
CID 2906191
N-cyclopropyl-4-(2-hydroxyethyl)-1,4-diazepane-1-carbothioamide
CID 107216870
(3S)-N-cyclohexyl-3-hydroxypiperidine-1-carbothioamide
CID 8669560
N-cyclohexyl-4-(dimethylamino)piperidine-1-carbothioamide
CID 113224022
N-cyclopropyl-3-(hydroxymethyl)piperidine-1-carbothioamide
CID 4888703
N-cyclopropyl-4-propan-2-ylpiperazine-1-carbothioamide
CID 115579026
(3R,5S)-N-cyclohexyl-3,5-dimethylpiperidine-1-carbothioamide
CID 2457098
(3S,5S)-N-cyclohexyl-3,5-dimethylpiperidine-1-carbothioamide
CID 2457101
(3R)-N-cyclopentyl-3-methylpiperidine-1-carbothioamide
CID 947302
N-(2-methylcyclohexyl)piperidine-1-carbothioamide
CID 43384639
(3R,5S)-N-cyclopropyl-3,5-dimethylpiperidine-1-carbothioamide
CID 51529104

Frequently Asked Questions

What is the IUPAC name of N-cyclopropylazocane-1-carbothioamide?
The IUPAC name of N-cyclopropylazocane-1-carbothioamide (CID 115570256) is N-cyclopropylazocane-1-carbothioamide.
What is the SMILES notation for N-cyclopropylazocane-1-carbothioamide?
The canonical SMILES for N-cyclopropylazocane-1-carbothioamide is S=C(NC1CC1)N1CCCCCCC1.
What is the InChIKey of N-cyclopropylazocane-1-carbothioamide?
The InChIKey is BFXTWHROKWFWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S/c14-11(12-10-6-7-10)13-8-4-2-1-3-5-9-13/h10H,1-9H2,(H,12,14).
What are the key properties of N-cyclopropylazocane-1-carbothioamide?
N-cyclopropylazocane-1-carbothioamide has a molecular weight of 212.36 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropylazocane-1-carbothioamide is sourced from PubChem (CID 115570256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).