N-pentylpyrrolidine-1-carbothioamide

C10H20N2S — CID 127515670

IUPACN-pentylpyrrolidine-1-carbothioamide
SMILESCCCCCNC(=S)N1CCCC1
InChIInChI=1S/C10H20N2S/c1-2-3-4-7-11-10(13)12-8-5-6-9-12/h2-9H2,1H3,(H,11,13)
InChIKeyILPNWBSMVRTORL-UHFFFAOYSA-N
MW200.35 g/mol
LogP2.15
Rot. Bonds4

About N-pentylpyrrolidine-1-carbothioamide

N-pentylpyrrolidine-1-carbothioamide (PubChem CID 127515670) has the molecular formula C10H20N2S and a molecular weight of 200.35 g/mol. Its IUPAC name is N-pentylpyrrolidine-1-carbothioamide.

Molecular Properties

Compound NameN-pentylpyrrolidine-1-carbothioamide
PubChem CID127515670
Molecular FormulaC10H20N2S
Molecular Weight200.35 g/mol
Exact Mass200.13
IUPAC NameN-pentylpyrrolidine-1-carbothioamide
SMILESCCCCCNC(=S)N1CCCC1
InChIInChI=1S/C10H20N2S/c1-2-3-4-7-11-10(13)12-8-5-6-9-12/h2-9H2,1H3,(H,11,13)
InChIKeyILPNWBSMVRTORL-UHFFFAOYSA-N
XLogP2.15
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-butylazetidine-1-carbothioamide
CID 115576699
N-propylazepane-1-carbothioamide
CID 19654131
N-butyl-4-tert-butylpiperazine-1-carbothioamide
CID 115588028
N-(5-oxohexyl)piperidine-1-carbothioamide
CID 88559676
4-[2-(dimethylamino)ethyl]-N-hexylpiperazine-1-carbothioamide
CID 60675352
N-butyl-4-propan-2-ylazepane-1-carbothioamide
CID 115627656
N-(3-methylsulfanylpropyl)azepane-1-carbothioamide
CID 43384650
N-butyl-4-tert-butylpiperidine-1-carbothioamide
CID 115629754
2,6-dimethyl-N-octylpiperidine-1-carbothioamide
CID 3437179
(2S,6S)-N-decyl-2,6-dimethylpiperidine-1-carbothioamide
CID 98157750
N-butyl-2-methylpiperidine-1-carbothioamide
CID 19653959
N-butyl-3-(2-hydroxyethyl)piperidine-1-carbothioamide
CID 107227314

Frequently Asked Questions

What is the IUPAC name of N-pentylpyrrolidine-1-carbothioamide?
The IUPAC name of N-pentylpyrrolidine-1-carbothioamide (CID 127515670) is N-pentylpyrrolidine-1-carbothioamide.
What is the SMILES notation for N-pentylpyrrolidine-1-carbothioamide?
The canonical SMILES for N-pentylpyrrolidine-1-carbothioamide is CCCCCNC(=S)N1CCCC1.
What is the InChIKey of N-pentylpyrrolidine-1-carbothioamide?
The InChIKey is ILPNWBSMVRTORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2S/c1-2-3-4-7-11-10(13)12-8-5-6-9-12/h2-9H2,1H3,(H,11,13).
What are the key properties of N-pentylpyrrolidine-1-carbothioamide?
N-pentylpyrrolidine-1-carbothioamide has a molecular weight of 200.35 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentylpyrrolidine-1-carbothioamide is sourced from PubChem (CID 127515670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).