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

C11H15N3S2 — CID 81261860

IUPACN-amino-N'-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboximidamide
SMILESNN/C(=N\C1CC1)c1cc2c(s1)CCSC2
InChIInChI=1S/C11H15N3S2/c12-14-11(13-8-1-2-8)10-5-7-6-15-4-3-9(7)16-10/h5,8H,1-4,6,12H2,(H,13,14)
InChIKeyLNJFGUSGXZGCLS-UHFFFAOYSA-N
MW253.40 g/mol
LogP1.91
Rot. Bonds2

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

N-amino-N'-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboximidamide (PubChem CID 81261860) has the molecular formula C11H15N3S2 and a molecular weight of 253.40 g/mol. Its IUPAC name is N-amino-N'-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboximidamide
PubChem CID81261860
Molecular FormulaC11H15N3S2
Molecular Weight253.40 g/mol
Exact Mass253.07
IUPAC NameN-amino-N'-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboximidamide
SMILESNN/C(=N\C1CC1)c1cc2c(s1)CCSC2
InChIInChI=1S/C11H15N3S2/c12-14-11(13-8-1-2-8)10-5-7-6-15-4-3-9(7)16-10/h5,8H,1-4,6,12H2,(H,13,14)
InChIKeyLNJFGUSGXZGCLS-UHFFFAOYSA-N
XLogP1.91
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.40
LogP ≤ 51.91
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'-cycloheptyl-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboximidamide
CID 81260693
6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carbonyl chloride
CID 81260755
[(3R)-3-aminopyrrolidin-1-yl]-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanone
CID 113282290
N-(2-aminocyclohexyl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
CID 81261131
N-[4-(methylamino)cyclohexyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
CID 81261934
(4-aminophenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanone
CID 81261881
[(3R)-3-aminopiperidin-1-yl]-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanone
CID 102983548
3-cyclopropyl-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)propan-1-one
CID 114978270
N-amino-4,5-dibromo-N'-cyclopentylthiophene-2-carboximidamide
CID 80538881
(3-cyclopropyl-3-hydroxyazetidin-1-yl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanone
CID 81261401
(2S)-2-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carbonylamino)propanoic acid
CID 81267842
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carbonyl)piperidine-4-carbonitrile
CID 80709755

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboximidamide?
The IUPAC name of N-amino-N'-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboximidamide (CID 81261860) is N-amino-N'-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboximidamide.
What is the SMILES notation for N-amino-N'-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboximidamide?
The canonical SMILES for N-amino-N'-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboximidamide is NN/C(=N\C1CC1)c1cc2c(s1)CCSC2.
What is the InChIKey of N-amino-N'-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboximidamide?
The InChIKey is LNJFGUSGXZGCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S2/c12-14-11(13-8-1-2-8)10-5-7-6-15-4-3-9(7)16-10/h5,8H,1-4,6,12H2,(H,13,14).
What are the key properties of N-amino-N'-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboximidamide?
N-amino-N'-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboximidamide has a molecular weight of 253.40 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboximidamide is sourced from PubChem (CID 81261860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).