1-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]cyclopentane-1-carbothioamide

C14H25N3OS — CID 55153233

IUPAC1-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]cyclopentane-1-carbothioamide
SMILESCN(C)CC1CCCN1C(=O)C1(C(N)=S)CCCC1
InChIInChI=1S/C14H25N3OS/c1-16(2)10-11-6-5-9-17(11)13(18)14(12(15)19)7-3-4-8-14/h11H,3-10H2,1-2H3,(H2,15,19)
InChIKeyXXQXFPSZSLBLQF-UHFFFAOYSA-N
MW283.44 g/mol
LogP1.39
Rot. Bonds4

About 1-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]cyclopentane-1-carbothioamide

1-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]cyclopentane-1-carbothioamide (PubChem CID 55153233) has the molecular formula C14H25N3OS and a molecular weight of 283.44 g/mol. Its IUPAC name is 1-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]cyclopentane-1-carbothioamide.

Molecular Properties

Compound Name1-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]cyclopentane-1-carbothioamide
PubChem CID55153233
Molecular FormulaC14H25N3OS
Molecular Weight283.44 g/mol
Exact Mass283.17
IUPAC Name1-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]cyclopentane-1-carbothioamide
SMILESCN(C)CC1CCCN1C(=O)C1(C(N)=S)CCCC1
InChIInChI=1S/C14H25N3OS/c1-16(2)10-11-6-5-9-17(11)13(18)14(12(15)19)7-3-4-8-14/h11H,3-10H2,1-2H3,(H2,15,19)
InChIKeyXXQXFPSZSLBLQF-UHFFFAOYSA-N
XLogP1.39
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]cyclopentane-1-carbothioamide?
The IUPAC name of 1-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]cyclopentane-1-carbothioamide (CID 55153233) is 1-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]cyclopentane-1-carbothioamide.
What is the SMILES notation for 1-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]cyclopentane-1-carbothioamide?
The canonical SMILES for 1-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]cyclopentane-1-carbothioamide is CN(C)CC1CCCN1C(=O)C1(C(N)=S)CCCC1.
What is the InChIKey of 1-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]cyclopentane-1-carbothioamide?
The InChIKey is XXQXFPSZSLBLQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3OS/c1-16(2)10-11-6-5-9-17(11)13(18)14(12(15)19)7-3-4-8-14/h11H,3-10H2,1-2H3,(H2,15,19).
What are the key properties of 1-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]cyclopentane-1-carbothioamide?
1-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]cyclopentane-1-carbothioamide has a molecular weight of 283.44 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]cyclopentane-1-carbothioamide is sourced from PubChem (CID 55153233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).