(Z)-2-[5-[(dimethyl-λ4-sulfanylidene)amino]piperidin-3-yl]-3-iminoprop-1-en-1-amine

C10H20N4S — CID 139357850

IUPAC(Z)-2-[5-[(dimethyl-λ4-sulfanylidene)amino]piperidin-3-yl]-3-iminoprop-1-en-1-amine
SMILES[H]/N=C/C(=C\N)C1CNCC(N=S(C)C)C1
InChIInChI=1S/C10H20N4S/c1-15(2)14-10-3-8(6-13-7-10)9(4-11)5-12/h4-5,8,10-11,13H,3,6-7,12H2,1-2H3/b9-5+,11-4+
InChIKeySTIPHHCHBDRAGZ-IZRNULKBSA-N
MW228.37 g/mol
LogP0.52
Rot. Bonds3

About (Z)-2-[5-[(dimethyl-λ4-sulfanylidene)amino]piperidin-3-yl]-3-iminoprop-1-en-1-amine

(Z)-2-[5-[(dimethyl-λ4-sulfanylidene)amino]piperidin-3-yl]-3-iminoprop-1-en-1-amine (PubChem CID 139357850) has the molecular formula C10H20N4S and a molecular weight of 228.37 g/mol. Its IUPAC name is (Z)-2-[5-[(dimethyl-λ4-sulfanylidene)amino]piperidin-3-yl]-3-iminoprop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-2-[5-[(dimethyl-λ4-sulfanylidene)amino]piperidin-3-yl]-3-iminoprop-1-en-1-amine
PubChem CID139357850
Molecular FormulaC10H20N4S
Molecular Weight228.37 g/mol
Exact Mass228.14
IUPAC Name(Z)-2-[5-[(dimethyl-λ4-sulfanylidene)amino]piperidin-3-yl]-3-iminoprop-1-en-1-amine
SMILES[H]/N=C/C(=C\N)C1CNCC(N=S(C)C)C1
InChIInChI=1S/C10H20N4S/c1-15(2)14-10-3-8(6-13-7-10)9(4-11)5-12/h4-5,8,10-11,13H,3,6-7,12H2,1-2H3/b9-5+,11-4+
InChIKeySTIPHHCHBDRAGZ-IZRNULKBSA-N
XLogP0.52
TPSA74.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.37
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-[5-[(dimethyl-λ4-sulfanylidene)amino]piperidin-3-yl]-3-iminoprop-1-en-1-amine?
The IUPAC name of (Z)-2-[5-[(dimethyl-λ4-sulfanylidene)amino]piperidin-3-yl]-3-iminoprop-1-en-1-amine (CID 139357850) is (Z)-2-[5-[(dimethyl-λ4-sulfanylidene)amino]piperidin-3-yl]-3-iminoprop-1-en-1-amine.
What is the SMILES notation for (Z)-2-[5-[(dimethyl-λ4-sulfanylidene)amino]piperidin-3-yl]-3-iminoprop-1-en-1-amine?
The canonical SMILES for (Z)-2-[5-[(dimethyl-λ4-sulfanylidene)amino]piperidin-3-yl]-3-iminoprop-1-en-1-amine is [H]/N=C/C(=C\N)C1CNCC(N=S(C)C)C1.
What is the InChIKey of (Z)-2-[5-[(dimethyl-λ4-sulfanylidene)amino]piperidin-3-yl]-3-iminoprop-1-en-1-amine?
The InChIKey is STIPHHCHBDRAGZ-IZRNULKBSA-N. The full InChI is InChI=1S/C10H20N4S/c1-15(2)14-10-3-8(6-13-7-10)9(4-11)5-12/h4-5,8,10-11,13H,3,6-7,12H2,1-2H3/b9-5+,11-4+.
What are the key properties of (Z)-2-[5-[(dimethyl-λ4-sulfanylidene)amino]piperidin-3-yl]-3-iminoprop-1-en-1-amine?
(Z)-2-[5-[(dimethyl-λ4-sulfanylidene)amino]piperidin-3-yl]-3-iminoprop-1-en-1-amine has a molecular weight of 228.37 g/mol, XLogP of 0.52, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[5-[(dimethyl-λ4-sulfanylidene)amino]piperidin-3-yl]-3-iminoprop-1-en-1-amine is sourced from PubChem (CID 139357850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).