N-methyl-2-propan-2-ylpyrrolidine-1-carbothioamide

C9H18N2S — CID 115593463

IUPACN-methyl-2-propan-2-ylpyrrolidine-1-carbothioamide
SMILESCNC(=S)N1CCCC1C(C)C
InChIInChI=1S/C9H18N2S/c1-7(2)8-5-4-6-11(8)9(12)10-3/h7-8H,4-6H2,1-3H3,(H,10,12)
InChIKeyHQIFTAZEOILDRH-UHFFFAOYSA-N
MW186.32 g/mol
LogP1.61
Rot. Bonds1

About N-methyl-2-propan-2-ylpyrrolidine-1-carbothioamide

N-methyl-2-propan-2-ylpyrrolidine-1-carbothioamide (PubChem CID 115593463) has the molecular formula C9H18N2S and a molecular weight of 186.32 g/mol. Its IUPAC name is N-methyl-2-propan-2-ylpyrrolidine-1-carbothioamide.

Molecular Properties

Compound NameN-methyl-2-propan-2-ylpyrrolidine-1-carbothioamide
PubChem CID115593463
Molecular FormulaC9H18N2S
Molecular Weight186.32 g/mol
Exact Mass186.12
IUPAC NameN-methyl-2-propan-2-ylpyrrolidine-1-carbothioamide
SMILESCNC(=S)N1CCCC1C(C)C
InChIInChI=1S/C9H18N2S/c1-7(2)8-5-4-6-11(8)9(12)10-3/h7-8H,4-6H2,1-3H3,(H,10,12)
InChIKeyHQIFTAZEOILDRH-UHFFFAOYSA-N
XLogP1.61
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 51.61
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,N-dimethyl-2-propan-2-ylpyrrolidine-1-carboxamide
CID 115593303
methyl 4-oxo-4-(2-propan-2-ylpyrrolidin-1-yl)butanoate
CID 76708874
2-ethyl-N-methylazepane-1-carbothioamide
CID 115642318
2-fluoro-2-methyl-1-(2-propan-2-ylpyrrolidin-1-yl)propan-1-one
CID 130562121
(2R)-1-(2-propan-2-ylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 79014107
3-amino-1-[(2S)-2-propan-2-ylpyrrolidin-1-yl]propan-1-one
CID 124508505
1-(2-propan-2-ylpyrrolidine-1-carbonyl)cyclobutane-1-carbonitrile
CID 80592692
2-(methoxymethyl)-N-methylpiperidine-1-carbothioamide
CID 130647806
(1-aminocyclopentyl)-(2-propan-2-ylpyrrolidin-1-yl)methanone
CID 62059351
N,3-dimethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide
CID 116509403
2,3-dimethyl-N-propan-2-ylpiperidine-1-carbothioamide
CID 115646992
N-amino-2-propan-2-yl-N'-propylpyrrolidine-1-carboximidamide
CID 104887147

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-propan-2-ylpyrrolidine-1-carbothioamide?
The IUPAC name of N-methyl-2-propan-2-ylpyrrolidine-1-carbothioamide (CID 115593463) is N-methyl-2-propan-2-ylpyrrolidine-1-carbothioamide.
What is the SMILES notation for N-methyl-2-propan-2-ylpyrrolidine-1-carbothioamide?
The canonical SMILES for N-methyl-2-propan-2-ylpyrrolidine-1-carbothioamide is CNC(=S)N1CCCC1C(C)C.
What is the InChIKey of N-methyl-2-propan-2-ylpyrrolidine-1-carbothioamide?
The InChIKey is HQIFTAZEOILDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2S/c1-7(2)8-5-4-6-11(8)9(12)10-3/h7-8H,4-6H2,1-3H3,(H,10,12).
What are the key properties of N-methyl-2-propan-2-ylpyrrolidine-1-carbothioamide?
N-methyl-2-propan-2-ylpyrrolidine-1-carbothioamide has a molecular weight of 186.32 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-propan-2-ylpyrrolidine-1-carbothioamide is sourced from PubChem (CID 115593463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).