N-amino-N'-cycloheptyl-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboximidamide

C15H23N3S2 — CID 81260693

IUPACN-amino-N'-cycloheptyl-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboximidamide
SMILESNN/C(=N\C1CCCCCC1)c1cc2c(s1)CCSC2
InChIInChI=1S/C15H23N3S2/c16-18-15(17-12-5-3-1-2-4-6-12)14-9-11-10-19-8-7-13(11)20-14/h9,12H,1-8,10,16H2,(H,17,18)
InChIKeySHOIZJOMUAYCOH-UHFFFAOYSA-N
MW309.50 g/mol
LogP3.47
Rot. Bonds2

About N-amino-N'-cycloheptyl-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboximidamide

N-amino-N'-cycloheptyl-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboximidamide (PubChem CID 81260693) has the molecular formula C15H23N3S2 and a molecular weight of 309.50 g/mol. Its IUPAC name is N-amino-N'-cycloheptyl-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-cycloheptyl-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboximidamide
PubChem CID81260693
Molecular FormulaC15H23N3S2
Molecular Weight309.50 g/mol
Exact Mass309.13
IUPAC NameN-amino-N'-cycloheptyl-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboximidamide
SMILESNN/C(=N\C1CCCCCC1)c1cc2c(s1)CCSC2
InChIInChI=1S/C15H23N3S2/c16-18-15(17-12-5-3-1-2-4-6-12)14-9-11-10-19-8-7-13(11)20-14/h9,12H,1-8,10,16H2,(H,17,18)
InChIKeySHOIZJOMUAYCOH-UHFFFAOYSA-N
XLogP3.47
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.50
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-amino-N'-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboximidamide
CID 81261860
N-amino-4,5-dibromo-N'-cycloheptylthiophene-2-carboximidamide
CID 80538901
N-amino-N'-cyclohexylthieno[3,2-b]thiophene-5-carboximidamide
CID 80745333
N-(2-aminocyclohexyl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
CID 81261131
N-amino-N'-cyclopentyl-5-methylthiophene-2-carboximidamide
CID 61360915
6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 81261126
[(3R)-3-aminopiperidin-1-yl]-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanone
CID 102983548
6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carbonyl chloride
CID 81260755
N-[(2-chlorocyclohexyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
CID 114301654
[(3R)-3-aminopyrrolidin-1-yl]-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanone
CID 113282290
N-(2-amino-2-sulfanylideneethyl)-N-cyclopentyl-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
CID 81266548
6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 81262008

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-cycloheptyl-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboximidamide?
The IUPAC name of N-amino-N'-cycloheptyl-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboximidamide (CID 81260693) is N-amino-N'-cycloheptyl-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboximidamide.
What is the SMILES notation for N-amino-N'-cycloheptyl-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboximidamide?
The canonical SMILES for N-amino-N'-cycloheptyl-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboximidamide is NN/C(=N\C1CCCCCC1)c1cc2c(s1)CCSC2.
What is the InChIKey of N-amino-N'-cycloheptyl-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboximidamide?
The InChIKey is SHOIZJOMUAYCOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3S2/c16-18-15(17-12-5-3-1-2-4-6-12)14-9-11-10-19-8-7-13(11)20-14/h9,12H,1-8,10,16H2,(H,17,18).
What are the key properties of N-amino-N'-cycloheptyl-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboximidamide?
N-amino-N'-cycloheptyl-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboximidamide has a molecular weight of 309.50 g/mol, XLogP of 3.47, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-cycloheptyl-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboximidamide is sourced from PubChem (CID 81260693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).