N-(pentylamino)methanethioamide

C6H14N2S — CID 87450889

IUPACN-(pentylamino)methanethioamide
SMILESCCCCCNNC=S
InChIInChI=1S/C6H14N2S/c1-2-3-4-5-7-8-6-9/h6-7H,2-5H2,1H3,(H,8,9)
InChIKeyFXCYTRLUPVGOIX-UHFFFAOYSA-N
MW146.26 g/mol
LogP1.23
Rot. Bonds6

About N-(pentylamino)methanethioamide

N-(pentylamino)methanethioamide (PubChem CID 87450889) has the molecular formula C6H14N2S and a molecular weight of 146.26 g/mol. Its IUPAC name is N-(pentylamino)methanethioamide.

Molecular Properties

Compound NameN-(pentylamino)methanethioamide
PubChem CID87450889
Molecular FormulaC6H14N2S
Molecular Weight146.26 g/mol
Exact Mass146.09
IUPAC NameN-(pentylamino)methanethioamide
SMILESCCCCCNNC=S
InChIInChI=1S/C6H14N2S/c1-2-3-4-5-7-8-6-9/h6-7H,2-5H2,1H3,(H,8,9)
InChIKeyFXCYTRLUPVGOIX-UHFFFAOYSA-N
XLogP1.23
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.26
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(propan-2-ylamino)methanethioamide
CID 20506656
N-(propylamino)methanethioamide
CID 20506674
N'-butylethanethiohydrazide
CID 57097174
Pentanethiohydrazide
CID 58390990
(Pentylamino)thiourea
CID 87060544
(Pentylamino)carbamodithioic acid
CID 88399677
potassium N-(pentylamino)carbamodithioate
CID 88399805
Pentylhydrazine;sulfane
CID 158363875
N-(cyclopentylamino)methanethioamide
CID 173391146

Frequently Asked Questions

What is the IUPAC name of N-(pentylamino)methanethioamide?
The IUPAC name of N-(pentylamino)methanethioamide (CID 87450889) is N-(pentylamino)methanethioamide.
What is the SMILES notation for N-(pentylamino)methanethioamide?
The canonical SMILES for N-(pentylamino)methanethioamide is CCCCCNNC=S.
What is the InChIKey of N-(pentylamino)methanethioamide?
The InChIKey is FXCYTRLUPVGOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2S/c1-2-3-4-5-7-8-6-9/h6-7H,2-5H2,1H3,(H,8,9).
What are the key properties of N-(pentylamino)methanethioamide?
N-(pentylamino)methanethioamide has a molecular weight of 146.26 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pentylamino)methanethioamide is sourced from PubChem (CID 87450889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).