CID 148894984

C10H17BN2S — CID 148894984

IUPAC—
SMILES[B]C1(C)CCCC2C1S/C(=N\C)N2C
InChIInChI=1S/C10H17BN2S/c1-10(11)6-4-5-7-8(10)14-9(12-2)13(7)3/h7-8H,4-6H2,1-3H3/b12-9-
InChIKeyJWIANAFRDBFILG-XFXZXTDPSA-N
MW208.14 g/mol
LogP1.92
Rot. Bonds

About CID 148894984

CID 148894984 (PubChem CID 148894984) has the molecular formula C10H17BN2S and a molecular weight of 208.14 g/mol.

Molecular Properties

Compound NameCID 148894984
PubChem CID148894984
Molecular FormulaC10H17BN2S
Molecular Weight208.14 g/mol
Exact Mass208.12
IUPAC Name—
SMILES[B]C1(C)CCCC2C1S/C(=N\C)N2C
InChIInChI=1S/C10H17BN2S/c1-10(11)6-4-5-7-8(10)14-9(12-2)13(7)3/h7-8H,4-6H2,1-3H3/b12-9-
InChIKeyJWIANAFRDBFILG-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 148587026
CID 148587026
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 148894984?
The IUPAC name of CID 148894984 (CID 148894984) is not available.
What is the SMILES notation for CID 148894984?
The canonical SMILES for CID 148894984 is [B]C1(C)CCCC2C1S/C(=N\C)N2C.
What is the InChIKey of CID 148894984?
The InChIKey is JWIANAFRDBFILG-XFXZXTDPSA-N. The full InChI is InChI=1S/C10H17BN2S/c1-10(11)6-4-5-7-8(10)14-9(12-2)13(7)3/h7-8H,4-6H2,1-3H3/b12-9-.
What are the key properties of CID 148894984?
CID 148894984 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 148894984 is sourced from PubChem (CID 148894984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).