3-[methyl(thiolan-3-yl)amino]pentanethioamide

C10H20N2S2 — CID 43296654

IUPAC3-[methyl(thiolan-3-yl)amino]pentanethioamide
SMILESCCC(CC(N)=S)N(C)C1CCSC1
InChIInChI=1S/C10H20N2S2/c1-3-8(6-10(11)13)12(2)9-4-5-14-7-9/h8-9H,3-7H2,1-2H3,(H2,11,13)
InChIKeyUCQDPYOKXAHCGP-UHFFFAOYSA-N
MW232.42 g/mol
LogP1.88
Rot. Bonds5

About 3-[methyl(thiolan-3-yl)amino]pentanethioamide

3-[methyl(thiolan-3-yl)amino]pentanethioamide (PubChem CID 43296654) has the molecular formula C10H20N2S2 and a molecular weight of 232.42 g/mol. Its IUPAC name is 3-[methyl(thiolan-3-yl)amino]pentanethioamide.

Molecular Properties

Compound Name3-[methyl(thiolan-3-yl)amino]pentanethioamide
PubChem CID43296654
Molecular FormulaC10H20N2S2
Molecular Weight232.42 g/mol
Exact Mass232.11
IUPAC Name3-[methyl(thiolan-3-yl)amino]pentanethioamide
SMILESCCC(CC(N)=S)N(C)C1CCSC1
InChIInChI=1S/C10H20N2S2/c1-3-8(6-10(11)13)12(2)9-4-5-14-7-9/h8-9H,3-7H2,1-2H3,(H2,11,13)
InChIKeyUCQDPYOKXAHCGP-UHFFFAOYSA-N
XLogP1.88
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.42
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N,2-N-dimethyl-2-N-(thiolan-3-yl)butane-1,2-diamine
CID 62422780
ethyl 2-[methyl(thiolan-3-yl)amino]butanoate
CID 64660445
1-N,2-N-dimethyl-2-N-(thiolan-3-yl)pentane-1,2-diamine
CID 83055086
N'-hydroxy-2-[methyl(thiolan-3-yl)amino]propanimidamide
CID 76915090
3-[cyclobutylmethyl(methyl)amino]pentanethioamide
CID 62861317
2-N-methyl-1-N-pentan-3-yl-2-N-(thiolan-3-yl)propane-1,2-diamine
CID 62568442
3-[cyclopropylmethyl(propyl)amino]pentanethioamide
CID 61441831
4-[methyl(thiolan-3-yl)amino]pentanoic acid
CID 62215066
3-[3-(dimethylamino)propyl-ethylamino]pentanethioamide
CID 102993455
2-N-methyl-1-N-propan-2-yl-2-N-(thiolan-3-yl)propane-1,2-diamine
CID 62422594
3-[methyl(oxan-4-ylmethyl)amino]pentanethioamide
CID 63711154
3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pentanethioamide
CID 63236538

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(thiolan-3-yl)amino]pentanethioamide?
The IUPAC name of 3-[methyl(thiolan-3-yl)amino]pentanethioamide (CID 43296654) is 3-[methyl(thiolan-3-yl)amino]pentanethioamide.
What is the SMILES notation for 3-[methyl(thiolan-3-yl)amino]pentanethioamide?
The canonical SMILES for 3-[methyl(thiolan-3-yl)amino]pentanethioamide is CCC(CC(N)=S)N(C)C1CCSC1.
What is the InChIKey of 3-[methyl(thiolan-3-yl)amino]pentanethioamide?
The InChIKey is UCQDPYOKXAHCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2S2/c1-3-8(6-10(11)13)12(2)9-4-5-14-7-9/h8-9H,3-7H2,1-2H3,(H2,11,13).
What are the key properties of 3-[methyl(thiolan-3-yl)amino]pentanethioamide?
3-[methyl(thiolan-3-yl)amino]pentanethioamide has a molecular weight of 232.42 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(thiolan-3-yl)amino]pentanethioamide is sourced from PubChem (CID 43296654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).