CID 148587026

C10H17BN2S — CID 148587026

IUPAC—
SMILES[B]C1(C)CCC2C(C1)S/C(=N\C)N2C
InChIInChI=1S/C10H17BN2S/c1-10(11)5-4-7-8(6-10)14-9(12-2)13(7)3/h7-8H,4-6H2,1-3H3/b12-9-
InChIKeyIGHLWLRPFPDZLC-XFXZXTDPSA-N
MW208.14 g/mol
LogP1.92
Rot. Bonds

About CID 148587026

CID 148587026 (PubChem CID 148587026) has the molecular formula C10H17BN2S and a molecular weight of 208.14 g/mol.

Molecular Properties

Compound NameCID 148587026
PubChem CID148587026
Molecular FormulaC10H17BN2S
Molecular Weight208.14 g/mol
Exact Mass208.12
IUPAC Name—
SMILES[B]C1(C)CCC2C(C1)S/C(=N\C)N2C
InChIInChI=1S/C10H17BN2S/c1-10(11)5-4-7-8(6-10)14-9(12-2)13(7)3/h7-8H,4-6H2,1-3H3/b12-9-
InChIKeyIGHLWLRPFPDZLC-XFXZXTDPSA-N
XLogP1.92
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.14
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,3-dimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-2-imine
CID 140417903
CID 148894984
CID 148894984
6-methyl-N,3-di(propan-2-yl)-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-2-imine
CID 166733216
(7aS)-N,3-dimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-2-imine
CID 166754611
CID 173971175
CID 173971175

Frequently Asked Questions

What is the IUPAC name of CID 148587026?
The IUPAC name of CID 148587026 (CID 148587026) is not available.
What is the SMILES notation for CID 148587026?
The canonical SMILES for CID 148587026 is [B]C1(C)CCC2C(C1)S/C(=N\C)N2C.
What is the InChIKey of CID 148587026?
The InChIKey is IGHLWLRPFPDZLC-XFXZXTDPSA-N. The full InChI is InChI=1S/C10H17BN2S/c1-10(11)5-4-7-8(6-10)14-9(12-2)13(7)3/h7-8H,4-6H2,1-3H3/b12-9-.
What are the key properties of CID 148587026?
CID 148587026 has a molecular weight of 208.14 g/mol, XLogP of 1.92, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 148587026 is sourced from PubChem (CID 148587026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).